SCHEMBL6058096

SCHEMBL6058096

COC(=O)c1cc(C)c2nc(N)sc2c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.55
MAPT P10636 1/20 0.50
CYP2C9 P11712 2/20 0.47
CYP3A4 P08684 2/20 0.44
KCNH2 Q12809 1/20 0.44
ALDH1A1 P00352 4/20 0.44
CYP1A2 P05177 1/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
HDAC1 Q13547 1/20 0.43
KDM4E B2RXH2 2/20 0.42
LCK P06239 2/20 0.42
ILK Q13418 1/20 0.41
HTT P42858 1/20 0.41
CYP2C19 P33261 1/20 0.41
LMNA P02545 1/20 0.41
PIK3CA P42336 1/20 0.40
PIK3CB P42338 1/20 0.40
PIK3CG P48736 1/20 0.40
PI4KB Q9UBF8 1/20 0.40

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
SCHEMBL29387320 1.00 HSD17B10 (0.55) HSD17B10MAPTCYP2C9CYP3A4KCNH2
SCHEMBL23629004 0.85 CYP2C19 (0.55) HSD17B10MAPTCYP2C9CYP3A4KCNH2
SCHEMBL28570422 0.85 HSD17B10 (0.51) HSD17B10MAPTCYP2C9CYP3A4ALDH1A1
SCHEMBL642545 0.84 CYP3A4 (0.50) HSD17B10MAPTCYP2C9CYP3A4KCNH2
SCHEMBL2920222 0.84 CYP2C9 (0.46) HSD17B10MAPTCYP2C9CYP3A4KCNH2
SCHEMBL11589979 0.84 ALDH1A1 (0.54) HSD17B10MAPTCYP2C9CYP3A4KCNH2
SCHEMBL2275450 0.84 LMNA (0.51) HSD17B10MAPTCYP2C9CYP3A4KCNH2
SCHEMBL9957845 0.84 PIK3CA (0.44) MAPTALDH1A1MEN1KMT2AHDAC1
SCHEMBL26962466 0.83 HSD17B10 (0.60) HSD17B10MAPTCYP3A4ALDH1A1KDM4E
SCHEMBL9952440 0.82 KDM4E (0.42) MAPTALDH1A1MEN1KMT2AHDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250115608-A1 HORMONE RECEPTOR MODULATORS FOR TREATING METABOLIC CONDITIONS AND DISORDERS ARDELYX, INC. (US) 2025-04-10 US disclosed
US-12209088-B2 Hormone receptor modulators for treating metabolic conditions and disorders ARDELYX, INC. (US) 2025-01-28 US disclosed
US-20240150339-A1 Compounds and Their Use as PDE4 Activators MIRONID LIMITED (GB) 2024-05-09 US disclosed
EP-4291557-A1 COMPOUNDS AND THEIR USE AS PDE4 ACTIVATORS Mironid Limited (GB) 2023-12-20 EP disclosed
CN-116854681-A Hormone receptor modulators for the treatment of metabolic conditions and disorders 阿德利克斯股份有限公司 2023-10-10 CN disclosed
EP-3650449-B1 FXR RECEPTOR AGONIST XUANZHU BIOPHARMACEUTICAL CO LTD (CN) 2023-08-23 EP disclosed
EP-3650449-B1 FXR RECEPTOR AGONIST XUANZHU BIOPHARMACEUTICAL CO LTD (CN) 2023-08-23 EP disclosed
US-11718619-B2 Isoxazolyl-carbonyloxy azabicyclo[3.2.1]octanyl compounds as FXR activators ARDELYX, INC. (US) 2023-08-08 US disclosed
US-11718619-B2 Isoxazolyl-carbonyloxy azabicyclo[3.2.1]octanyl compounds as FXR activators ARDELYX, INC. (US) 2023-08-08 US disclosed
US-11718619-B2 Isoxazolyl-carbonyloxy azabicyclo[3.2.1]octanyl compounds as FXR activators ARDELYX, INC. (US) 2023-08-08 US disclosed
EP-2655370-A1 COMPOSITIONS AND METHODS FOR MODULATING FXR IRM LLC (BM) 2013-10-30 EP disclosed
US-20130261108-A1 COMPOSITIONS AND METHODS FOR MODULATING FARNESOID X RECEPTORS IRM LLC (BM) 2013-10-03 US disclosed
WO-2012087519-A1 COMPOSITIONS AND METHODS FOR MODULATING FXR IRM LLC (BM) 2012-06-28 WO disclosed
WO-2012087519-A1 COMPOSITIONS AND METHODS FOR MODULATING FXR IRM LLC (BM) 2012-06-28 WO disclosed
EP-1037632-B1 BENZOTHIAZOLE PROTEIN TYROSINE KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2006-01-11 EP disclosed
US-6825355-B2 FOR THERAPY OF IMMUNOLOGIC DISORDERS SUCH AS TRANSPLANT REJECTION, RHEUMATOID ARTHRITIS. MULTIPLE SCLEROSIS, INFLAMMATORY BOWEL DISEASE, LUPUS, GRAFT VS. HOST DISEASE BRISTOL-MYERS SQUIBB CO. 2004-11-30 US disclosed
EP-1037632-A4 BENZOTHIAZOLE PROTEIN TYROSINE KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2002-08-21 EP disclosed
CN-1290165-A Benzothiazole Protein tyrosine kinase inhibitors BRISTOL MYERS SQUIBB CO (US) 2001-04-04 CN disclosed
EP-1037632-A1 BENZOTHIAZOLE PROTEIN TYROSINE KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2000-09-27 EP disclosed
WO-1999024035-A1 BENZOTHIAZOLE PROTEIN TYROSINE KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 1999-05-20 WO 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 (5 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-11718619-B2 Isoxazolyl-carbonyloxy azabicyclo[3.2.1]octanyl compounds as FXR activators FXR1, FXR2, NR1H4 HSD17B10 2510/4885MAPT 4666/4885CYP2C9 566/4885
US-12209088-B2 Hormone receptor modulators for treating metabolic conditions and disorders NR1H4, FXR1, GLP1R HSD17B10 770/4885MAPT 4700/4885CYP2C9 1237/4885
US-20130261108-A1 COMPOSITIONS AND METHODS FOR MODULATING FARNESOID X RECEPTORS NR1H4, SLC10A1, GPBAR1 HSD17B10 297/4885MAPT 4386/4885CYP2C9 462/4885
US-20240150339-A1 Compounds and Their Use as PDE4 Activators PDE4A, PDE4B, PDE4C HSD17B10 1225/4885MAPT 4772/4885CYP2C9 2357/4885
US-20250115608-A1 HORMONE RECEPTOR MODULATORS FOR TREATING METABOLIC CONDITIONS AND DISORDERS NR1H4, FXR1, GLP1R HSD17B10 770/4885MAPT 4700/4885CYP2C9 1237/4885

“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.