SCHEMBL3687552

SCHEMBL3687552

COCCOC(=O)NC(C(=O)O)C(C)C

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TYR P14679 1/20 0.44
NPSR1 Q6W5P4 2/20 0.41
PPARG P37231 2/20 0.40
PPARA Q07869 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
PLA2G2A P14555 1/20 0.38
PLA2G5 P39877 1/20 0.38
ECE1 P42892 2/20 0.38
MME P08473 1/20 0.38
ALDH1A1 P00352 2/20 0.37
MAPK1 P28482 1/20 0.37
HSD17B10 Q99714 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CTSS P25774 1/20 0.36
CTSK P43235 1/20 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
SCHEMBL903604 1.00 TYR (0.44) TYRNPSR1PPARGPPARASMN1; SMN2
SCHEMBL6443625 0.95 TYR (0.41) TYRNPSR1PPARGPPARASMN1; SMN2
SCHEMBL6443853 0.95 TYR (0.41) TYRNPSR1PPARGPPARASMN1; SMN2
SCHEMBL6443665 0.84 SMN1; SMN2 (0.47) TYRNPSR1PPARGPPARASMN1; SMN2
SCHEMBL6443671 0.84 SMN1; SMN2 (0.47) TYRNPSR1PPARGPPARASMN1; SMN2
SCHEMBL8602926 0.82 TYR (0.44) TYRNPSR1PPARGPPARASMN1; SMN2
SCHEMBL13046512 0.82 TYR (0.44) TYRNPSR1PPARGPPARASMN1; SMN2
SCHEMBL754195 0.82 TYR (0.44) TYRNPSR1PPARGPPARASMN1; SMN2
SCHEMBL1287155 0.81 SMN1; SMN2 (0.53) TYRNPSR1PPARGPPARASMN1; SMN2
SCHEMBL509967 0.81 SMN1; SMN2 (0.53) TYRNPSR1PPARGPPARASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104744444-B The fluoro- 9,10 dihydro phenanthrene class hepatitis C virus inhibitors of 9,9,10,10- tetra- and its application 南京圣和药业股份有限公司 2019-02-26 CN disclosed
US-9796705-B2 Fused tricyclic compounds and methods of use thereof for the treatment of viral diseases MERCK SHARP & DOHME CORP. (US) 2017-10-24 US disclosed
US-9512108-B2 9,9,10,10-Tetrafluoro-9,10-dihydrophenanthrene hepatitis C virus inhibitor and application thereof NANJING SANHOME PHARMACEUTICAL CO., LTD. (CN) 2016-12-06 US disclosed
EP-3091010-A1 9,9,10,10-TETRAFLUORO-9,10-DIHYDROPHENANTHRENE HEPATITIS C VIRUS INHIBITOR AND APPLICATION THEREOF Nanjing Sanhome Pharmaceutical Co., Ltd. (CN) 2016-11-09 EP disclosed
US-20160297804-A1 9,9,10,10-TETRAFLUORO-9,10-DIHYDROPHENANTHRENE HEPATITIS C VIRUS INHIBITOR AND APPLICATION THEREOF NANJING SANHOME PHARMACEUTICAL CO., LTD. (CN) 2016-10-13 US disclosed
US-9000020-B2 Linked dibenzimidazole antivirals ENANTA PHARMACEUTICALS, INC. (US) 2015-04-07 US disclosed
US-20130295049-A1 LINKED DIBENZIMIDAZOLE ANTIVIRALS ENANTA PHARMACEUTICALS, INC (US) 2013-11-07 US disclosed
US-8314135-B2 Linked dibenzimidazole antivirals ENANTA PHARMACEUTICALS, INC. (US) 2012-11-20 US disclosed
EP-2393359-A1 LINKED DIBENZIMIDAZOLE DERIVATIVES Enanta Pharmaceuticals, Inc. (US) 2011-12-14 EP disclosed
US-20100266543-A1 LINKED DIBENZIMIDAZOLE ANTIVIRALS ENANTA PHARMACEUTICALS, INC. 2010-10-21 US disclosed
WO-2010091413-A1 LINKED DIBENZIMIDAZOLE DERIVATIVES ENANTA PHARMACEUTICALS, INC. (US) 2010-08-12 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 (3 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-20160297804-A1 9,9,10,10-TETRAFLUORO-9,10-DIHYDROPHENANTHRENE HEPATITIS C VIRUS INHIBITOR AND APPLICATION THEREOF SLC10A1, CYP2C9, UGT1A9 TYR 532/4885NPSR1 3562/4885PPARG 946/4885
US-20100266543-A1 LINKED DIBENZIMIDAZOLE ANTIVIRALS EIF2AK2, ZC3HAV1, NSUN2 TYR 4065/4885NPSR1 4335/4885PPARG 2046/4885
US-20130295049-A1 LINKED DIBENZIMIDAZOLE ANTIVIRALS EIF2AK2, ZC3HAV1, NSUN2 TYR 4065/4885NPSR1 4335/4885PPARG 2046/4885

“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.