SCHEMBL5019737

SCHEMBL5019737

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.48
TRPA1 O75762 1/20 0.43
ALDH1A1 P00352 4/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
LMNA P02545 1/20 0.39
EPHX1 P07099 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
MMP1 P03956 1/20 0.37
MMP2 P08253 1/20 0.37
MMP9 P14780 1/20 0.37
MMP8 P22894 1/20 0.37
CA9 Q16790 1/20 0.37
TSHR P16473 1/20 0.37
EPHX2 P34913 2/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 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
SCHEMBL21676411 0.85 ALDH1A1 (0.39) POLBTRPA1ALDH1A1MEN1KMT2A
SCHEMBL20017286 0.83 EPHX1 (0.52) POLBTRPA1ALDH1A1MEN1KMT2A
SCHEMBL18793674 0.80 POLB (0.45) POLBTRPA1ALDH1A1MEN1KMT2A
SCHEMBL1233423 0.80 TSHR (0.39) POLBTRPA1ALDH1A1MEN1KMT2A
SCHEMBL24567754 0.80 POLB (0.45) POLBTRPA1ALDH1A1MEN1KMT2A
SCHEMBL22338262 0.80 EPHX1 (0.42) POLBTRPA1ALDH1A1MEN1KMT2A
SCHEMBL19172100 0.80 EPHX1 (0.62) POLBALDH1A1EPHX1SMN1; SMN2TSHR
SCHEMBL6488391 0.78 POLB (0.43) POLBTRPA1ALDH1A1MEN1KMT2A
SCHEMBL2625566 0.78 EPHX1 (0.48) POLBALDH1A1MEN1KMT2ALMNA
SCHEMBL6488388 0.78 POLB (0.43) POLBTRPA1ALDH1A1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11873310-B2 Compounds useful in HIV therapy GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2024-01-16 US disclosed
EP-4265608-A1 BENZOHETEROCYCLE SUBSTITUTED TETRAHYDROISOQUINOLINE COMPOUND Shanghai Jemincare Pharmaceuticals Co., Ltd. (CN) 2023-10-25 EP disclosed
US-11787779-B2 Sulfone pyridine alkyl amide-substituted heteroaryl compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2023-10-17 US disclosed
US-20230226214-A1 BIFUNCTIONAL BRIDGING COMPOSITIONS FOR VIRAL TRANSDUCTION LYCIA THERAPEUTICS, INC. 2023-07-20 US disclosed
US-20230192634-A1 Antiviral Compounds for Use in the Treatment of Coronavirus Infection PURDUE RESEARCH FOUNDATION 2023-06-22 US disclosed
US-20230192634-A1 Antiviral Compounds for Use in the Treatment of Coronavirus Infection PURDUE RESEARCH FOUNDATION 2023-06-22 US disclosed
US-11678968-B2 Urological device including a valve retained in a urinary catheter COLOPLAST A/S (DK) 2023-06-20 US disclosed
US-11678968-B2 Urological device including a valve retained in a urinary catheter COLOPLAST A/S (DK) 2023-06-20 US disclosed
US-20230158155-A1 Cell Surface Receptor Binding Compounds and Conjugates LYCIA THERAPEUTICS, INC. 2023-05-25 US disclosed
US-11649214-B2 Inhibitors of the notch transcriptional activation complex kinase (“NACK”) and methods for use of the same UNIVERSITY OF MIAMI (US) 2023-05-16 US disclosed
US-7384944-B2 Piperazine derivatives useful as CCR5 antagonists SCHERING CORPORATION (US) 2008-06-10 US disclosed
US-20080107625-A1 Inhibitors of Hepatitis C Virus BRISTOL-MYERS SQUIBB COMPANY 2008-05-08 US disclosed
US-20080107623-A1 Inhibitors of Hepatitis C Virus BRISTOL-MYERS SQUIBB COMPANY 2008-05-08 US disclosed
EP-1881002-A1 HCV NS-3 serine protease inhibitors Tibotec Pharmaceuticals Ltd. (IE) 2008-01-23 EP disclosed
EP-1881001-A1 HCV NS-3 serine protease inhibitors Tibotec Pharmaceuticals Ltd. (IE) 2008-01-23 EP disclosed
US-20070197628-A1 Cannabinoid receptor modulators INTERVET INTERNATIONAL B.V. (NL) 2007-08-23 US disclosed
US-20070197628-A1 Cannabinoid receptor modulators INTERVET INTERNATIONAL B.V. (NL) 2007-08-23 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-20070093429-A1 IAP BIR domain binding compounds AEGERA THERAPEUTICS, INC. (CA) 2007-04-26 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 (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-20080107623-A1 Inhibitors of Hepatitis C Virus HAVCR2, HCCS, VIP POLB 2106/4885TRPA1 4837/4885ALDH1A1 3864/4885
US-20070093429-A1 IAP BIR domain binding compounds BIRC5, BIRC2, BIRC3 POLB 1247/4885TRPA1 2839/4885ALDH1A1 4074/4885
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 POLB 391/4885TRPA1 3751/4885ALDH1A1 3464/4885
US-20230192634-A1 Antiviral Compounds for Use in the Treatment of Coronavirus Infection SARS1, MAVS, ZC3HAV1 POLB 400/4885TRPA1 4660/4885ALDH1A1 4490/4885
US-20230158155-A1 Cell Surface Receptor Binding Compounds and Conjugates M6PR, ASGR1, IGF2R POLB 4812/4885TRPA1 2863/4885ALDH1A1 3655/4885
US-11873310-B2 Compounds useful in HIV therapy CD4, CCR5, ABCB1 POLB 273/4885TRPA1 4588/4885ALDH1A1 424/4885
US-11787779-B2 Sulfone pyridine alkyl amide-substituted heteroaryl compounds TYK2, JAK3, JAK2 POLB 3486/4885TRPA1 3374/4885ALDH1A1 4424/4885
US-20230226214-A1 BIFUNCTIONAL BRIDGING COMPOSITIONS FOR VIRAL TRANSDUCTION HAVCR2, FCGR3B, FCGR2A POLB 1097/4885TRPA1 4372/4885ALDH1A1 4520/4885
US-20070197628-A1 Cannabinoid receptor modulators CNR1, CNR2, GPR18 POLB 3689/4885TRPA1 209/4885ALDH1A1 1999/4885
US-20080107625-A1 Inhibitors of Hepatitis C Virus HAVCR2, HCCS, VIP POLB 2106/4885TRPA1 4837/4885ALDH1A1 3864/4885
US-11649214-B2 Inhibitors of the notch transcriptional activation complex kinase (“NACK”) and methods for use of the same NOTCH1, CHUK, CBFB POLB 1085/4885TRPA1 3819/4885ALDH1A1 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.