SCHEMBL194382

SCHEMBL194382

COC(=O)Nc1ccccc1CC(=O)O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 2/20 0.56
PTGS2 P35354 4/20 0.54
CXCL8 P10145 5/20 0.53
TTR P02766 2/20 0.50
AKR1B10 O60218 1/20 0.50
UGT1A9 O60656 1/20 0.50
TRPA1 O75762 1/20 0.50
ABCB11 O95342 1/20 0.50
MT-CO2 P00403 1/20 0.50
ALB P02768 1/20 0.50
UGT1A6 P19224 1/20 0.50
UGT1A1 P22309 1/20 0.50
PTGS1 P23219 1/20 0.50
CXCR1 P25024 1/20 0.50
ADRA1A P35348 1/20 0.50
AGTR2 P50052 1/20 0.50
NR1I3 Q14994 1/20 0.50
SLC22A6 Q4U2R8 1/20 0.50
UGT1A7 Q9HAW7 1/20 0.50
UGT1A10 Q9HAW8 1/20 0.50

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
SCHEMBL1162987 0.84 NR1H4 (0.58) NR1H4PTGS2CXCL8TTRAKR1B10
SCHEMBL30619395 0.84 NR1H4 (0.58) NR1H4PTGS2CXCL8TTRAKR1B10
SCHEMBL1836106 0.84 L3MBTL1 (0.51)
SCHEMBL9587541 0.84 ALDH1A1 (0.54)
SCHEMBL31226210 0.82 NR1H4 (0.59) NR1H4PTGS2CXCL8TTRAKR1B10
SCHEMBL29960499 0.82 HPGD (0.56)
SCHEMBL3054871 0.82 NR1H4 (0.59) NR1H4PTGS2CXCL8TTRAKR1B10
SCHEMBL2462870 0.82 HPGD (0.56)
SCHEMBL2095643 0.81 L3MBTL1 (0.67) CYP2C9
SCHEMBL1163050 0.81 NPC1 (0.64) NR1H4CXCL8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110981879-B Method for preparing NS5A inhibitor-wipatasvir 南通常佑药业科技有限公司 2021-03-05 CN disclosed
EP-3699176-A2 ANTIVIRAL COMPOUNDS Gilead Pharmasset LLC (US) 2020-08-26 EP disclosed
US-10752611-B2 Benzimidazole derivatives ENANTA PHARMACEUTICALS, INC. (US) 2020-08-25 US disclosed
CN-110981879-A Method for preparing NS5A inhibitor-wipatasvir 南通常佑药业科技有限公司 2020-04-10 CN disclosed
US-10407445-B2 Hepatitis C virus inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2019-09-10 US disclosed
US-10017499-B2 Benzimidazole derivatives ENANTA PHARMACEUTICALS, INC. (US) 2018-07-10 US disclosed
EP-3284741-A1 ANTIVIRAL COMPOUNDS Gilead Pharmasset LLC (US) 2018-02-21 EP disclosed
US-9765087-B2 Benzimidazole derivatives ENANTA PHARMACEUTICALS, INC. (US) 2017-09-19 US disclosed
EP-2640719-B1 ANTIVIRAL COMPOUNDS GILEAD PHARMASSET LLC (US) 2017-05-10 EP disclosed
US-20170114046-A1 NOVEL BENZIMIDAZOLE DERIVATIVES ENANTA PHARM INC (US) 2017-04-27 US disclosed
WO-2010132601-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2010-11-18 WO disclosed
US-20100266543-A1 LINKED DIBENZIMIDAZOLE ANTIVIRALS ENANTA PHARMACEUTICALS, INC. 2010-10-21 US disclosed
US-20100260715-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. 2010-10-14 US disclosed
US-20100233122-A1 NOVEL BENZIMIDAZOLE DERIVATIVES ENANTA PHARMACEUTICALS, INC. 2010-09-16 US disclosed
US-20100226882-A1 LINKED DIIMIDAZOLE ANTIVIRALS ENANTA PHARMACEUTICALS, INC. 2010-09-09 US disclosed
US-20100226883-A1 LINKED DIIMIDAZOLE DERIVATIVES ENANTA PHARMACEUTICALS, INC. 2010-09-09 US disclosed
US-20100221214-A1 LINKED DIBENZIMIDAZOLE DERIVATIVES ENANTA PHARMACEUTICALS, INC. 2010-09-02 US disclosed
WO-2010099527-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. (US) 2010-09-02 WO disclosed
WO-2010096462-A1 LINKED DIIMIDAZOLE DERIVATIVES ENANTA PHARMACEUTICALS, INC (US) 2010-08-26 WO 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 (10 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-20170114046-A1 NOVEL BENZIMIDAZOLE DERIVATIVES EIF2AK2, ZC3HAV1, HAVCR2 NR1H4 34/4885PTGS2 1825/4885CXCL8 1110/4885
US-20100226882-A1 LINKED DIIMIDAZOLE ANTIVIRALS EIF2AK2, ZC3HAV1, MAVS NR1H4 64/4885PTGS2 2207/4885CXCL8 996/4885
US-20100260715-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, SLC10A1, EIF2AK2 NR1H4 10/4885PTGS2 1567/4885CXCL8 459/4885
US-20100233122-A1 NOVEL BENZIMIDAZOLE DERIVATIVES EIF2AK2, ZC3HAV1, HAVCR2 NR1H4 34/4885PTGS2 1825/4885CXCL8 1110/4885
US-10017499-B2 Benzimidazole derivatives EIF2AK2, ZC3HAV1, ZC3HAV1L NR1H4 47/4885PTGS2 1350/4885CXCL8 1128/4885
US-10407445-B2 Hepatitis C virus inhibitors HAVCR2, SLC10A1, EIF2AK2 NR1H4 10/4885PTGS2 1537/4885CXCL8 444/4885
US-20100226883-A1 LINKED DIIMIDAZOLE DERIVATIVES EIF2AK2, ZC3HAV1, HAVCR2 NR1H4 45/4885PTGS2 1691/4885CXCL8 732/4885
US-20100221214-A1 LINKED DIBENZIMIDAZOLE DERIVATIVES EIF2AK2, NSUN2, ZC3HAV1 NR1H4 35/4885PTGS2 2540/4885CXCL8 902/4885
US-20100266543-A1 LINKED DIBENZIMIDAZOLE ANTIVIRALS EIF2AK2, ZC3HAV1, NSUN2 NR1H4 40/4885PTGS2 2858/4885CXCL8 1081/4885
US-10752611-B2 Benzimidazole derivatives EIF2AK2, ZC3HAV1, ZC3HAV1L NR1H4 47/4885PTGS2 1350/4885CXCL8 1128/4885

“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.