SCHEMBL3473579

SCHEMBL3473579

CC(C)[C@@H](C(=O)OCc1ccccc1)N(Cc1ccc(-c2ccccc2C#N)cc1)C(=O)CCC1(C)OCCO1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 1/20 0.41
ITGA4 P13612 1/20 0.41
AVPR1A P37288 3/20 0.41
OXTR P30559 2/20 0.41
FFAR1 O14842 1/20 0.40
AKR1B1 P15121 1/20 0.40
AGTR1 P30556 4/20 0.39
LTB4R2 Q9NPC1 2/20 0.37
ABCB11 O95342 1/20 0.37
GP6 Q9HCN6 1/20 0.37
PTPN1 P18031 1/20 0.36
MME P08473 1/20 0.35
EGLN1 Q9GZT9 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
CTSL P07711 2/20 0.33
CTSB P07858 2/20 0.33
CTSK P43235 2/20 0.33
CTSS P25774 1/20 0.33

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
SCHEMBL3473583 1.00 ITGB1 (0.41) ITGB1ITGA4AVPR1AOXTRFFAR1
SCHEMBL6016794 0.91 ITGB1 (0.36) ITGB1ITGA4AVPR1AOXTRFFAR1
SCHEMBL6016793 0.91 ITGB1 (0.36) ITGB1ITGA4AVPR1AOXTRFFAR1
SCHEMBL3473572 0.87 FFAR1 (0.46) ITGB1ITGA4AVPR1AOXTRFFAR1
SCHEMBL3473577 0.87 FFAR1 (0.46) ITGB1ITGA4AVPR1AOXTRFFAR1
SCHEMBL2140 0.84 AGTR1 (0.54) FFAR1AKR1B1AGTR1LTB4R2ABCB11
SCHEMBL29378073 0.84 AGTR1 (0.54) FFAR1AKR1B1AGTR1LTB4R2ABCB11
SCHEMBL1809623 0.84 AGTR1 (0.54) FFAR1AKR1B1AGTR1LTB4R2ABCB11
SCHEMBL8360853 0.82 ITGB1 (0.45) ITGB1ITGA4AVPR1AOXTRFFAR1
SCHEMBL2651 0.81 ALDH1A1 (0.52) ITGB1ITGA4AVPR1AOXTRFFAR1

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-20100048654-A1 USE OF VALSARTAN OR ITS METABOLITE TO IN HIBIT PLATELET AGGREGATION NOVARTIS PHARMACEUTICALS CORPORATION 2010-02-25 US disclosed
US-20100048654-A1 USE OF VALSARTAN OR ITS METABOLITE TO IN HIBIT PLATELET AGGREGATION NOVARTIS PHARMACEUTICALS CORPORATION 2010-02-25 US disclosed
US-20100048654-A1 USE OF VALSARTAN OR ITS METABOLITE TO IN HIBIT PLATELET AGGREGATION NOVARTIS PHARMACEUTICALS CORPORATION 2010-02-25 US disclosed
US-20050197372-A1 Use of valsartan or its metabolite to inhibit platelet aggregation MALININ ALEX (US) 2005-09-08 US disclosed
EP-1505965-A1 USE OF VALSARTAN OT ITS METABOLITE TO INHIBIT PLATELET AGGREGATION Novartis AG (CH) 2005-02-16 EP disclosed
WO-2003094915-A1 USE OF VALSARTAN OT ITS METABOLITE TO INHIBIT PLATELET AGGREGATION NOVARTIS AG (CH) 2003-11-20 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-20100048654-A1 USE OF VALSARTAN OR ITS METABOLITE TO IN HIBIT PLATELET AGGREGATION PDGFRA, PLAT, PTAFR ITGB1 1373/4885ITGA4 635/4885AVPR1A 362/4885
US-20050197372-A1 Use of valsartan or its metabolite to inhibit platelet aggregation PTAFR, PDGFRA, ACE ITGB1 1361/4885ITGA4 657/4885AVPR1A 193/4885

“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.