SCHEMBL6775947

SCHEMBL6775947

CC(C)(C)OC(=O)NC(CCOS(C)(=O)=O)C(=O)OCc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 3/20 0.51
SYK P43405 1/20 0.51
CTSS P25774 4/20 0.48
CTSK P43235 3/20 0.47
PPARG P37231 2/20 0.47
CTSL P07711 1/20 0.47
CTSB P07858 1/20 0.47
TACR1 P25103 1/20 0.46
CACNA1B Q00975 4/20 0.46
KLK7 P49862 3/20 0.46
MAPT P10636 1/20 0.46
KLK5 Q9Y337 2/20 0.45
ACE P12821 1/20 0.45

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
SCHEMBL2856553 1.00 PPARA (0.51) PPARASYKCTSSCTSKPPARG
SCHEMBL8592186 0.94 CTSK (0.49) PPARASYKCTSSCTSKPPARG
SCHEMBL8592181 0.94 CTSK (0.49) PPARASYKCTSSCTSKPPARG
SCHEMBL28435271 0.86 PPARA (0.52) PPARASYKCTSSCTSKPPARG
SCHEMBL28435270 0.86 PPARA (0.52) PPARASYKCTSSCTSKPPARG
SCHEMBL12159207 0.86 P2RX7 (0.53) PPARASYKCTSSCTSKTACR1
SCHEMBL23811131 0.85 PPARA (0.54) PPARASYKCTSSCTSKPPARG
SCHEMBL7267125 0.85 PPARA (0.54) PPARASYKCTSSCTSKPPARG
SCHEMBL9301974 0.85 SYK (0.52) PPARASYKCTSSCTSKCTSL
SCHEMBL6820018 0.84 PPARA (0.53) PPARASYKCTSSCTSKPPARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6831199-B1 In order to avoid bleeding side-effects when treating the conditions associated with integrin alpha v beta 3, it is beneficial to have compounds which are selective antagonists for alpha v beta 3 versus alpha IIb beta 3 G. D. SEARLE & CO. 2004-12-14 US disclosed
US-6693123-B2 (4-(3-PYRIDYLAMINOMETHYLENE)-2-PHENYLBENZOYL)-N -METHYLMETHIONINE, METHYL ESTER FOR EXAMPLE; RESTENOSIS, HYPERPLASIA UNIVERSITY OF PITTSBURGH 2004-02-17 US disclosed
EP-0873123-B1 INHIBITORS OF PROTEIN ISOPRENYL TRANSFERASES UNIV PITTSBURGH (US) 2003-04-09 EP disclosed
US-20020193596-A1 Inhibitors of protein isoprenyl transferases UNIVERSITY OF PITTSBURGH (US) 2002-12-19 US disclosed
EP-0850221-B1 META-GUANIDINE, UREA, THIOUREA OR AZACYCLIC AMINO BENZOIC ACID DERIVATIVES AS INTEGRIN ANTAGONISTS SEARLE & CO (US) 2001-07-18 EP disclosed
US-6028223-A AN INTEGRIN ANTAGONISTS TREATING BONE DISORDER, PERIODONTAL DISEASE, OSTEOPOROSIS, HUMORAL HYPERCALCEMIA OF MALIGNANCY, PAGET'S DISEASE, TUMOR ANGIOGENESIS, DIABETIC RETINOPATHY, ARTHRITIS, SMOOTH MUSCLE CELL MIGRATION AND RESTENOSIS G. D. SEARLE & CO. (US) 2000-02-22 US disclosed
EP-0850221-A1 META-GUANIDINE, UREA, THIOUREA OR AZACYCLIC AMINO BENZOIC ACID DERIVATIVES AS INTEGRIN ANTAGONISTS G.D. SEARLE & CO. (US) 1998-07-01 EP disclosed
WO-1997008145-A1 META-GUANIDINE, UREA, THIOUREA OR AZACYCLIC AMINO BENZOIC ACID DERIVATIVES AS INTEGRIN ANTAGONISTS G.D. SEARLE & CO. (US) 1997-03-06 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 (1 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-20020193596-A1 Inhibitors of protein isoprenyl transferases LANCL1, FNTB, DHCR7 PPARA 4273/4885SYK 4686/4885CTSS 3234/4885

“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.