SCHEMBL7807640

SCHEMBL7807640

CC(C)(C)COC(=O)NC(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.42
TSHR P16473 4/20 0.33
ALOX15 P16050 1/20 0.33
EPHX1 P07099 1/20 0.32
CYP2C19 P33261 1/20 0.32
MEN1 O00255 2/20 0.32
ALDH1A1 P00352 2/20 0.32
GAA P10253 3/20 0.32
GBA1 P04062 1/20 0.32
LMNA P02545 1/20 0.32
CYP3A4 P08684 1/20 0.32
NFKB1 P19838 1/20 0.32
ADRA1A P35348 1/20 0.32
RAB9A P51151 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
CTSK P43235 1/20 0.31
POLB P06746 1/20 0.31
MAPT P10636 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL21137601 0.84 KMT2A (0.36) KMT2A
SCHEMBL21137606 0.82 ACHE (0.49) ALDH1A1LMNA
SCHEMBL9547614 0.82 HTT (0.45) KMT2ATSHRALOX15MEN1ALDH1A1
SCHEMBL8908473 0.82 POLB (0.33) KMT2ATSHRALOX15EPHX1GAA
SCHEMBL15176884 0.82 KMT2A (0.40) KMT2ATSHRCYP2C19MEN1ALDH1A1
SCHEMBL29100482 0.80 GBA1 (0.33) TSHRALOX15GBA1
SCHEMBL12207797 0.80 POLB (0.42) KMT2AEPHX1MEN1ALDH1A1POLB
SCHEMBL15949860 0.80 KMT2A (0.44) KMT2ATSHRCYP2C19MEN1ALDH1A1
SCHEMBL22747912 0.79 KDM4E (0.38) TSHRALOX15LMNACYP3A4NFKB1
SCHEMBL31662525 0.79 TSHR (0.32) TSHRALOX15ALDH1A1GAALMNA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11718626-B2 Macrocyclic compounds for treatment of medical disorders ACHILLION PHARMACEUTICALS, INC. (US) 2023-08-08 US disclosed
US-11707531-B2 Compounds, compositions, and methods for the treatment of disease F-star Therapeutics, Inc. (GB) 2023-07-25 US disclosed
US-20230121556-A1 COMPOUNDS FOR FAST AND EFFICIENT CLICK RELEASE TAGWORKS PHARMACEUTICALS B.V. (NL) 2023-04-20 US disclosed
US-20210308207-A1 COMPOUNDS COMPRISING A LINKER FOR INCREASING TRANSCYCLOOCTENE STABILITY TAGWORKS PHARMACEUTICALS B.V. (NL) 2021-10-07 US disclosed
US-11053253-B2 Macrocyclic compounds for treatment of medical disorders ACHILLION PHARMACEUTICALS, INC. (US) 2021-07-06 US disclosed
US-20200268899-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR THE TREATMENT OF DISEASE INVOX PHARMA LIMITED (GB) 2020-08-27 US disclosed
US-9173966-B2 Luciferin derivatives from bicyclic reactants and aminothiol derivatives and methods of use thereof THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2015-11-03 US disclosed
US-20130287699-A1 Luciferin Derivatives from Bicyclic Reactants and Aminothiol Derivatives and Methods of Use Thereof THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2013-10-31 US disclosed
US-8343477-B2 Viricides; serine protease inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2013-01-01 US disclosed
US-20120142711-A1 ACID-LABILE TRIGGER UNITS KTB TUMORFORSCHUNGSGESELLSCHAFT MBH (DE) 2012-06-07 US disclosed
US-7741281-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2010-06-22 US disclosed
US-20090324544-A1 SUBSTITUTED CYCLIC PYRROLIDINE DERIVATIVES ENANTA PHARMACEUTICALS, INC. 2009-12-31 US disclosed
US-20080107623-A1 Inhibitors of Hepatitis C Virus BRISTOL-MYERS SQUIBB COMPANY 2008-05-08 US disclosed
US-20080107624-A1 Inhibitors of Hepatitis C Virus BRISTOL-MYERS SQUIBB COMPANY 2008-05-08 US disclosed
US-20080107625-A1 Inhibitors of Hepatitis C Virus BRISTOL-MYERS SQUIBB COMPANY 2008-05-08 US disclosed
US-20080107625-A1 Inhibitors of Hepatitis C Virus BRISTOL-MYERS SQUIBB COMPANY 2008-05-08 US disclosed
US-20080004272-A1 Compositions and methods for modulating gated ion channels PAINCEPTOR PHARMA CORPORATION (CA) 2008-01-03 US disclosed
US-20070099825-A1 ethyl 2-(biphenyl-4-yl)-6-(tert-butoxycarbonylamino)-2-methoxy-8-(2-nitrophenylsulfonyl)-5,16-dioxo-1,2,3,5,6,7,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[n]pyrrolo[2,1-c][1,4,8]triazacyclopentadecine-14a-carboxylate; viricide; synergistic with other active ingredients BRISTOL-MYERS SQUIBB COMPANY 2007-05-03 US disclosed
US-7173004-B2 Macrocyclic isoquinoline peptide inhibitors of hepatitis C virus BRISTOL-MYERS SQUIBB COMPANY (US) 2007-02-06 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (14 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20130287699-A1 Luciferin Derivatives from Bicyclic Reactants and Aminothiol Derivatives and Methods of Use Thereof GFPT1, QPCT, GLB1 KMT2A 4015/4885TSHR 3747/4885ALOX15 1198/4885
US-20080107623-A1 Inhibitors of Hepatitis C Virus HAVCR2, HCCS, VIP KMT2A 4411/4885TSHR 1242/4885ALOX15 4708/4885
US-11718626-B2 Macrocyclic compounds for treatment of medical disorders CFD, TFPI, CFH KMT2A 4577/4885TSHR 2042/4885ALOX15 148/4885
US-20070099825-A1 ethyl 2-(biphenyl-4-yl)-6-(tert-butoxycarbonylamino)-2-methoxy-8-(2-nitrophenylsulfonyl)-5,16-dioxo-1,2,3,5,6,7,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[n]pyrrolo[2,1-c][1,4,8]triazacyclopentadecine-14a-carboxylate; viricide; synergistic with other active ingredients TERT, VIP, YWHAZ KMT2A 3526/4885TSHR 691/4885ALOX15 2040/4885
US-20080107624-A1 Inhibitors of Hepatitis C Virus HAVCR2, MRPS23, HCCS KMT2A 4324/4885TSHR 1168/4885ALOX15 4731/4885
US-11053253-B2 Macrocyclic compounds for treatment of medical disorders CFD, TFPI, CFH KMT2A 4577/4885TSHR 2042/4885ALOX15 148/4885
US-20090324544-A1 SUBSTITUTED CYCLIC PYRROLIDINE DERIVATIVES EIF2AK2, NSUN2, RNMT KMT2A 3226/4885TSHR 4282/4885ALOX15 2493/4885
US-20120142711-A1 ACID-LABILE TRIGGER UNITS ASIC1, ABL1, CA9 KMT2A 4093/4885TSHR 2445/4885ALOX15 648/4885
US-20230121556-A1 COMPOUNDS FOR FAST AND EFFICIENT CLICK RELEASE LTB4R, LTC4S, LTA4H KMT2A 3320/4885TSHR 3547/4885ALOX15 444/4885
US-20080004272-A1 Compositions and methods for modulating gated ion channels KCNN3, KCNN2, HCN3 KMT2A 2807/4885TSHR 4021/4885ALOX15 2697/4885
US-11707531-B2 Compounds, compositions, and methods for the treatment of disease STING1, MAVS, IRF3 KMT2A 4473/4885TSHR 3765/4885ALOX15 445/4885
US-20200268899-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR THE TREATMENT OF DISEASE STING1, MAVS, IRF3 KMT2A 4473/4885TSHR 3765/4885ALOX15 445/4885
US-20080107625-A1 Inhibitors of Hepatitis C Virus HAVCR2, HCCS, VIP KMT2A 4411/4885TSHR 1242/4885ALOX15 4708/4885
US-20210308207-A1 COMPOUNDS COMPRISING A LINKER FOR INCREASING TRANSCYCLOOCTENE STABILITY VIP, PIN1, QPCT KMT2A 4410/4885TSHR 1438/4885ALOX15 1521/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.