SCHEMBL7818031

SCHEMBL7818031

CC(C)(C)Oc1nccc2cnoc12

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.37
NPSR1 Q6W5P4 2/20 0.31
ATM Q13315 1/20 0.31
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HPGD P15428 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
TRPA1 O75762 1/20 0.30

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
SCHEMBL8374279 0.78 HPGD (0.42) NPSR1MEN1KMT2AKDM4EALDH1A1
SCHEMBL17537338 0.71 CYP2A6 (0.41)
SCHEMBL7818025 0.69 GAA (0.39) GAANPSR1ATMMEN1KMT2A
SCHEMBL7810640 0.68 MAPT (0.39) GAAKDM4EALDH1A1
SCHEMBL4268450 0.67 CYP2A6 (0.50) KDM4EALDH1A1SMN1; SMN2TRPA1
SCHEMBL18238922 0.67 TDO2 (0.33)
SCHEMBL15483760 0.63 CYP1A2 (0.38) GAAKDM4EALDH1A1HPGDTRPA1
SCHEMBL7813061 0.63
SCHEMBL13757951 0.63 TRPA1 (0.44) GAASMN1; SMN2TRPA1
SCHEMBL27364465 0.62 CYP2A6 (0.44) ATMALDH1A1HPGDSMN1; SMN2TRPA1

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8343477-B2 Viricides; serine protease inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2013-01-01 US disclosed
US-7741281-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2010-06-22 US disclosed
US-7741281-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2010-06-22 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-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-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-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

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

For each of this compound's patents that has machine-readable text (4 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 GAA 1603/4885NPSR1 1462/4885ATM 4493/4885
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 GAA 2391/4885NPSR1 2423/4885ATM 4764/4885
US-20080107624-A1 Inhibitors of Hepatitis C Virus HAVCR2, MRPS23, HCCS GAA 1693/4885NPSR1 1724/4885ATM 4384/4885
US-20080107625-A1 Inhibitors of Hepatitis C Virus HAVCR2, HCCS, VIP GAA 1603/4885NPSR1 1462/4885ATM 4493/4885

“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.