SCHEMBL7015933

SCHEMBL7015933

COc1ccc([C@H](CC(=O)O)NCC(OC)OC)cn1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 1/20 0.46
ITGA4 P13612 1/20 0.46
ADRB3 P13945 1/20 0.43
KMT2A Q03164 4/20 0.41
POLB P06746 3/20 0.41
ALDH1A1 P00352 2/20 0.41
ITGB3 P05106 2/20 0.41
ITGA2B P08514 1/20 0.41
P2RX3 P56373 2/20 0.41
P2RX2 Q9UBL9 2/20 0.41
FFAR1 O14842 1/20 0.40
KCNK3 O14649 3/20 0.40
CHRNA7 P36544 1/20 0.40
CTSA P10619 1/20 0.40
MEN1 O00255 3/20 0.39
KDM4E B2RXH2 1/20 0.39
MAPT P10636 1/20 0.39
KCNK9 Q9NPC2 1/20 0.39
NNMT P40261 1/20 0.38
ITGAV P06756 1/20 0.38

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
SCHEMBL7015928 1.00 ITGB1 (0.46) ITGB1ITGA4ADRB3KMT2APOLB
SCHEMBL19544075 0.88 ITGAV (0.39) ITGB1ITGA4ADRB3POLBALDH1A1
SCHEMBL17262997 0.84 ADRB3 (0.38) ITGB1ITGA4ADRB3KMT2APOLB
SCHEMBL13719466 0.84 ADRB3 (0.38) ITGB1ITGA4ADRB3KMT2APOLB
SCHEMBL5091427 0.84 ITGB1 (0.48) ITGB1ITGA4KMT2APOLBALDH1A1
SCHEMBL6221566 0.78 ITGB3 (0.50) KMT2APOLBALDH1A1ITGB3ITGA2B
SCHEMBL13719471 0.77 KMT2A (0.38) ADRB3KMT2APOLBALDH1A1KCNK3
SCHEMBL20139059 0.76 KCNK3 (0.43) ITGB1ITGA4ADRB3KMT2APOLB
SCHEMBL20140573 0.76 ITGB1 (0.47) ITGB1ITGA4KMT2APOLBALDH1A1
SCHEMBL3727872 0.75 NNMT (0.47) ITGB1ITGA4KMT2APOLBALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140349968-A1 Compositions and Methods for Treating Cancer ARIAD PHARMACEUTICALS, INC. (US) 2014-11-27 US disclosed
EP-1252162-B1 ALPHA V INTEGRIN RECEPTOR ANTAGONISTS MERCK SHARP & DOHME (US) 2012-07-25 EP disclosed
EP-1252162-A4 ALPHA V INTEGRIN RECEPTOR ANTAGONISTS MERCK & CO INC (US) 2003-06-11 EP disclosed
EP-1252162-A1 ALPHA V INTEGRIN RECEPTOR ANTAGONISTS Merck & Co., Inc. (US) 2002-10-30 EP disclosed
US-6472403-B2 IMIDAZOLIDIN-2-ONE DERIVATIVES; INHIBITING BONE RESORPTION, VASCULAR RESTENOSIS, DIABETIC RETINOPATHY, MACULAR DEGENERATION, ANGIOGENESIS, ATHEROSCLEROSIS, INFLAMMATION, ARTHRITIS, VIRAL DISEASE, CANCER AND METASTATIC TUMOR GROWTH MERCK & CO., INC. 2002-10-29 US disclosed
US-20020037889-A1 Alpha V integrin receptor antagonists MERCK SHARP & DOHME CORP. 2002-03-28 US disclosed
WO-2001053297-A1 ALPHA V INTEGRIN RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 2001-07-26 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-20140349968-A1 Compositions and Methods for Treating Cancer ITGB3, MTOR, ITGA2 ITGB1 9/4885ITGA4 7/4885ADRB3 989/4885
US-20020037889-A1 Alpha V integrin receptor antagonists ITGAV, ITGB3, ITGA5 ITGB1 5/4885ITGA4 14/4885ADRB3 227/4885

“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.