SCHEMBL8932181

SCHEMBL8932181

CC(C)CNC(=O)C(C)(C)C

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.54
CYP2C19 P33261 1/20 0.54
MMP1 P03956 1/20 0.46
MMP8 P22894 1/20 0.46
EPHX1 P07099 2/20 0.39
KMT2A Q03164 2/20 0.39
MAPT P10636 2/20 0.39
HSD17B10 Q99714 2/20 0.39
GAA P10253 1/20 0.39
MLYCD O95822 1/20 0.39
TAS1R3 Q7RTX0 1/20 0.38
TAS1R1 Q7RTX1 1/20 0.38
TAS1R2 Q8TE23 1/20 0.38
HPGD P15428 2/20 0.37
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
POLB P06746 2/20 0.36
KDM4E B2RXH2 2/20 0.36

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
SCHEMBL10018013 0.83 CYP2D6 (0.36) CYP2D6CYP2C19MAPTGAAALDH1A1
SCHEMBL24478556 0.83 POLB (0.39) CYP2D6CYP2C19MMP1MMP8MAPT
SCHEMBL18907825 0.81 CYP2D6 (0.50) CYP2D6CYP2C19MMP1MMP8EPHX1
SCHEMBL22318581 0.81 CYP2D6 (0.50) CYP2D6CYP2C19MMP1MMP8EPHX1
SCHEMBL7946066 0.81 CYP2D6 (0.50) CYP2D6CYP2C19MMP1MMP8EPHX1
SCHEMBL23872347 0.81 CYP2C19 (0.34) CYP2D6CYP2C19MMP1MMP8MAPT
SCHEMBL12898838 0.81 CYP2C19 (0.34) CYP2D6CYP2C19MMP1MMP8MAPT
SCHEMBL25389856 0.81 CYP2C19 (0.50) CYP2D6CYP2C19MMP1MMP8EPHX1
SCHEMBL12788569 0.81 CYP2C19 (0.34) CYP2D6CYP2C19MMP1MMP8MAPT
SCHEMBL18909748 0.81 CYP2D6 (0.50) CYP2D6CYP2C19MMP1MMP8EPHX1

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 71 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240218011-A1 GLUCOCORTICOID RECEPTOR AGONISTS AND CONJUGATES THEREOF FIREFLY BIO, INC. 2024-07-04 US disclosed
US-12018021-B2 Thiophene derivatives for the treatment of disorders caused by IgE UCB Biopharma SRL (BE) 2024-06-25 US disclosed
US-12018021-B2 Thiophene derivatives for the treatment of disorders caused by IgE UCB Biopharma SRL (BE) 2024-06-25 US disclosed
US-20230399356-A1 ANTIBODY DRUG CONJUGATES TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2023-12-14 US disclosed
US-20230399356-A1 ANTIBODY DRUG CONJUGATES TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2023-12-14 US disclosed
US-11773090-B2 Pharmaceutical compounds HEPTARES THERAPEUTICS LIMITED (GB) 2023-10-03 US disclosed
US-11773090-B2 Pharmaceutical compounds HEPTARES THERAPEUTICS LIMITED (GB) 2023-10-03 US disclosed
US-11759458-B2 Indane-amines as PD-L1 antagonists CHEMOCENTRYX, INC. (US) 2023-09-19 US disclosed
US-20230278958-A1 TRICYCLIC HETEROCYCLES MERCK PATENT GMBH (DE) 2023-09-07 US disclosed
US-11725024-B2 Antibody drug conjugates TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2023-08-15 US disclosed
US-20110065162-A1 IRE-1alpha INHIBITORS MANNKIND CORPORATION (US) 2011-03-17 US disclosed
US-20100331360-A1 3-SUBSTITUTED SULFONYL PIPERIDINE DERIVATIVE MSD K.K. (JP) 2010-12-30 US disclosed
US-7858666-B2 inositol requiring enzyme 1 (IRE-1 alpha) inhibitors such as 2-hydroxy-6-(5-(4-methylpiperazine-1-carbonyl)thiophen-2-yl)-1-naphthaldehyde, relieve protein folding stress by enhancing molecular chaperone activity and protects cells from stress induced apoptosis; autoimmune diseases; anticancer; viricides MANNKIND CORPORATION (US) 2010-12-28 US disclosed
US-7858666-B2 inositol requiring enzyme 1 (IRE-1 alpha) inhibitors such as 2-hydroxy-6-(5-(4-methylpiperazine-1-carbonyl)thiophen-2-yl)-1-naphthaldehyde, relieve protein folding stress by enhancing molecular chaperone activity and protects cells from stress induced apoptosis; autoimmune diseases; anticancer; viricides MANNKIND CORPORATION (US) 2010-12-28 US disclosed
US-20100249147-A1 SULFONYL-SUBSTITUTED 6-MEMBERED RING DERIVATIVE MSD K.K. (JP) 2010-09-30 US disclosed
US-20090186893-A1 IRE-1alpha INHIBITORS MANNKIND CORPORATION (US) 2009-07-23 US disclosed
US-7514447-B2 Diarylamine-containing compounds and compositions, and their use as modulators of c-kit receptors IRM LLC (BM) 2009-04-07 US disclosed
US-7504391-B2 Selective D1/D5 receptor antagonists for the treatment of obesity and CNS disorders SCHERING CORPORATION (US) 2009-03-17 US disclosed
US-7342016-B2 Farnesyl protein transferase inhibitors as antitumor agents SCHERING CORPORATION (US) 2008-03-11 US disclosed
US-20070149538-A1 Diarylamine-Containing Compounds and Compositions, and their use as Modulators of C-Kit Receptors IRM LLC (BM) 2007-06-28 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 (11 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-20100249147-A1 SULFONYL-SUBSTITUTED 6-MEMBERED RING DERIVATIVE CHRM2, CHRM3, CHRM1 CYP2D6 84/4885CYP2C19 422/4885MMP1 4074/4885
US-20230278958-A1 TRICYCLIC HETEROCYCLES YAP1, TERF2IP, TEAD1 CYP2D6 4510/4885CYP2C19 4791/4885MMP1 4198/4885
US-20240218011-A1 GLUCOCORTICOID RECEPTOR AGONISTS AND CONJUGATES THEREOF NR3C1, NR3C2, MC2R CYP2D6 2444/4885CYP2C19 2871/4885MMP1 4162/4885
US-11773090-B2 Pharmaceutical compounds CHRM1, CHRM2, CHRM4 CYP2D6 417/4885CYP2C19 418/4885MMP1 4053/4885
US-20230399356-A1 ANTIBODY DRUG CONJUGATES STING1, CGAS, TBK1 CYP2D6 1662/4885CYP2C19 3480/4885MMP1 4881/4885
US-20100331360-A1 3-SUBSTITUTED SULFONYL PIPERIDINE DERIVATIVE H1-3, H1-0, H1-2 CYP2D6 661/4885CYP2C19 1168/4885MMP1 3168/4885
US-12018021-B2 Thiophene derivatives for the treatment of disorders caused by IgE TSLP, CYSLTR1, CYSLTR2 CYP2D6 409/4885CYP2C19 202/4885MMP1 340/4885
US-20070149538-A1 Diarylamine-Containing Compounds and Compositions, and their use as Modulators of C-Kit Receptors KIT, PRKCH, PRKCE CYP2D6 3221/4885CYP2C19 3062/4885MMP1 3882/4885
US-11725024-B2 Antibody drug conjugates STING1, CGAS, TBK1 CYP2D6 1662/4885CYP2C19 3480/4885MMP1 4881/4885
US-20090186893-A1 IRE-1alpha INHIBITORS XBP1, DDIT3, ERN1 CYP2D6 3633/4885CYP2C19 3798/4885MMP1 2275/4885
US-11759458-B2 Indane-amines as PD-L1 antagonists CD274, PDCD1LG2, PDCD1 CYP2D6 739/4885CYP2C19 1373/4885MMP1 3517/4885

“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.