SCHEMBL7240844

SCHEMBL7240844

CC(C)(C)OC(=O)NC(Cc1ccc(NC(=O)OCc2ccccc2)cc1)C(=O)O

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ACE P12821 1/20 0.61
PPARA Q07869 3/20 0.59
ITGB3 P05106 8/20 0.57
ITGA2B P08514 7/20 0.57
ITGAV P06756 2/20 0.56
ITGB1 P05556 1/20 0.56
ITGB5 P18084 1/20 0.56
CTSS P25774 3/20 0.55
CTSK P43235 2/20 0.55
CTSL P07711 1/20 0.55
CTSB P07858 1/20 0.55
PPARG P37231 2/20 0.54
PTPN1 P18031 2/20 0.54
HDAC8 Q9BY41 1/20 0.53
KDM4E B2RXH2 1/20 0.52
MAPT P10636 1/20 0.52
TDP1 Q9NUW8 1/20 0.52

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
SCHEMBL7240841 1.00 ACE (0.61) ACEPPARAITGB3ITGA2BITGAV
SCHEMBL3728823 0.97 ACE (0.58) ACEPPARAITGB3ITGA2BITGAV
SCHEMBL2308786 0.97 ACE (0.58) ACEPPARAITGB3ITGA2BITGAV
SCHEMBL2308782 0.97 ACE (0.58) ACEPPARAITGB3ITGA2BITGAV
SCHEMBL6763708 0.96 ITGB3 (0.60) ACEPPARAITGB3ITGA2BITGAV
SCHEMBL7259295 0.90 ACE (0.58) ACEPPARAITGB3ITGA2BITGAV
SCHEMBL7357956 0.90 ITGB3 (0.61) ITGB3ITGA2BITGAVHDAC8
SCHEMBL10890972 0.88 ITGB3 (0.61) ACEPPARAITGB3ITGA2BITGAV
SCHEMBL9667023 0.88 ITGB3 (0.56) ACEITGB3ITGA2BITGAV
SCHEMBL23042784 0.86 ACE (0.52) ACEPPARAITGB3ITGA2BITGAV

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6573295-B2 Treating proliferative diseases, cancer, restenosis, osteoporosis, inflammation, aIlergies, or cardiovascular disease. ARIAD PHARMACEUTICALS, INC. 2003-06-03 US disclosed
US-6482852-B2 UE TREATING PROLIFERATIVE DISEASE, CANCER, RESTENOSIS, OSTEOPOROSIS, INFLAMMATION, ALLERGIES, OR CARDIOVASCULAR DISEASE; INHIBITION OF SH2-MEDIATED SIGNALING ARIAD PHARMACEUTICALS, INC. 2002-11-19 US disclosed
US-20020137941-A1 Ue treating proliferative disease, cancer, restenosis, osteoporosis, inflammation, allergies, or cardiovascular disease; inhibition of SH2-mediated signaling ARIAD PHARMACEUTICALS, INC. 2002-09-26 US disclosed
US-20020062031-A1 Bicyclic signal transduction inhibitors, compositions containing them & uses thereof SHAKESPEARE WILLIAM C (US) 2002-05-23 US disclosed
EP-1129068-A1 BICYCLIC SIGNAL TRANSDUCTION INHIBITORS, COMPOSITION CONTAINING THEM AND USES THEREOF ARIAD PHARMACEUTICALS, INC. (US) 2001-09-05 EP disclosed
WO-2000027802-A1 BICYCLIC SIGNAL TRANSDUCTION INHIBITORS, COMPOSITIONS CONTAINING THEM & USES THEREOF ARIAD PHARMACEUTICALS, INC. (US) 2000-05-18 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 (2 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-20020062031-A1 Bicyclic signal transduction inhibitors, compositions containing them & uses thereof ACP1, SRC, PPM1G ACE 3867/4885PPARA 4554/4885ITGB3 2494/4885
US-20020137941-A1 Ue treating proliferative disease, cancer, restenosis, osteoporosis, inflammation, allergies, or cardiovascular disease; inhibition of SH2-mediated signaling GRB2, LCK, PTK2 ACE 3708/4885PPARA 2101/4885ITGB3 1250/4885

“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.