SCHEMBL6422096

SCHEMBL6422096

CCOC(=O)C(CNC(=O)OCc1ccccc1)c1cccc(F)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.44
CNR2 P34972 1/20 0.44
OPRM1 P35372 2/20 0.43
OPRL1 P41146 2/20 0.43
CTSK P43235 3/20 0.43
SYK P43405 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
ALOX15 P16050 1/20 0.43
CYP2C19 P33261 1/20 0.43
CTSS P25774 3/20 0.42
CTSL P07711 2/20 0.42
MGLL Q99685 1/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
LMNA P02545 2/20 0.42
USP2 O75604 1/20 0.42
ALDH1A1 P00352 1/20 0.42
POLB P06746 1/20 0.42
TDP1 Q9NUW8 1/20 0.42

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
SCHEMBL17825663 0.89 CNR2 (0.47) CNR2OPRM1OPRL1CYP2D6CYP2C9
SCHEMBL7310621 0.88 HSD17B10 (0.59) HSD17B10L3MBTL1CTSKSYKCTSS
SCHEMBL17825661 0.87 HSD17B10 (0.51) HSD17B10L3MBTL1CTSKSYKCTSS
SCHEMBL3911930 0.86 HSD17B10 (0.48) HSD17B10OPRM1SYKCYP2D6CYP2C9
SCHEMBL1829064 0.82 HSD17B10 (0.47) HSD17B10L3MBTL1SYKCTSSCTSL
SCHEMBL1825005 0.81 HSD17B10 (0.46) HSD17B10L3MBTL1SYKCTSSCTSL
SCHEMBL23699393 0.81 SYK (0.44) HSD17B10L3MBTL1CNR2OPRM1OPRL1
SCHEMBL23699390 0.81 SYK (0.44) HSD17B10L3MBTL1CNR2OPRM1OPRL1
SCHEMBL23699392 0.80 CNR2 (0.44) HSD17B10L3MBTL1CNR2OPRM1OPRL1
SCHEMBL23699389 0.80 CNR2 (0.44) HSD17B10L3MBTL1CNR2OPRM1OPRL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3229801-B1 FACTOR IXA INHIBITORS MERCK SHARP & DOHME (US) 2020-04-01 EP disclosed
US-10189819-B2 Factor IXa inhibitors MERCK SHARP & DOHME, CORP. (US) 2019-01-29 US disclosed
US-20180030036-A1 Factor IXa Inhibitors MERCK SHARP & DOHME CORP. (US) 2018-02-01 US disclosed
EP-3229801-A1 FACTOR IXA INHIBITORS Merck Sharp & Dohme Corp. (US) 2017-10-18 EP disclosed
WO-2016094260-A1 FACTOR IXA INHIBITORS MERCK SHARP & DOHME CORP. (US) 2016-06-16 WO disclosed
EP-1040098-B1 INTEGRIN RECEPTOR ANTAGONISTS MERCK & CO INC (US) 2005-04-27 EP disclosed
US-6784190-B2 USEFUL FOR INHIBITING BONE RESORPTION, TREATING AND PREVENTING OSTEOPOROSIS, VASCULAR RESTENOSIS, DIABETIC RETINOPATHY, MACULAR DEGENERATION, ANGIOGENESIS, TUMOR, ATHEROSCLEROSIS, INFLAMMATION, WOUND HEALING, VIRAL DISEASEDISEASE, TUMOR MERCK & CO., INC. 2004-08-31 US disclosed
US-20020010176-A1 Integrin receptor antagonists MERCK SHARP & DOHME CORP. 2002-01-24 US disclosed
US-6297249-B1 SUBSTITUTED 2-CARBOXYALKYLPYRIDINES MERCK & CO., INC. 2001-10-02 US disclosed
EP-1040098-A1 INTEGRIN RECEPTOR ANTAGONISTS Merck & Co., Inc. (a New Jersey corp.) (US) 2000-10-04 EP disclosed
US-6048861-A OSTEOPOROSIS; BONE DISORDERS; CARDIOVASCULAR DISORDERS; ANTIINFLAMMATROY AGENTS; WOUND HEALING AGENTS MERCK & CO., INC. (US) 2000-04-11 US disclosed
WO-1999031061-A1 INTEGRIN RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 1999-06-24 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-20020010176-A1 Integrin receptor antagonists ITGAV, ITGB3, ADGRE5 HSD17B10 4370/4885L3MBTL1 1228/4885CNR2 1096/4885
US-20180030036-A1 Factor IXa Inhibitors F9, TFPI, F12 HSD17B10 2083/4885L3MBTL1 4827/4885CNR2 3360/4885
US-10189819-B2 Factor IXa inhibitors F9, TFPI, F12 HSD17B10 2083/4885L3MBTL1 4827/4885CNR2 3360/4885

“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.