SCHEMBL3473866

SCHEMBL3473866

CC(=O)CCC(=O)N(Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1)[C@H](C(=O)OCc1ccccc1)C(C)C

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 14/20 0.50
LTB4R2 Q9NPC1 4/20 0.48
ABCB11 O95342 1/20 0.48
GP6 Q9HCN6 1/20 0.48
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
POLB P06746 1/20 0.34
HSD17B10 Q99714 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
AGTR2 P50052 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
SCHEMBL3473870 1.00 AGTR1 (0.50) AGTR1LTB4R2ABCB11GP6MEN1
SCHEMBL6443487 0.92 AGTR1 (0.43) AGTR1LTB4R2ABCB11GP6MEN1
SCHEMBL6465938 0.92 AGTR1 (0.43) AGTR1LTB4R2ABCB11GP6MEN1
SCHEMBL2691 0.92 AGTR1 (0.61) AGTR1LTB4R2ABCB11GP6
SCHEMBL2950 0.92 AGTR1 (0.61) AGTR1LTB4R2ABCB11GP6
SCHEMBL14193717 0.92 AGTR1 (0.61) AGTR1LTB4R2ABCB11GP6
SCHEMBL3473679 0.90 AGTR1 (0.58) AGTR1LTB4R2ABCB11GP6MEN1
SCHEMBL3473688 0.90 AGTR1 (0.58) AGTR1LTB4R2ABCB11GP6MEN1
SCHEMBL2482 0.89 ALDH1A1 (0.47) AGTR1LTB4R2ABCB11GP6ALDH1A1
SCHEMBL3362 0.88 AGTR1 (0.47) AGTR1LTB4R2ABCB11GP6MEN1

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-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
EP-1505965-B1 USE OF THE METABOLITE OF VALSARTAN TO INHIBIT PLATELET AGGREGATION NOVARTIS AG (CH) 2006-08-02 EP 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 AGTR1 34/4885LTB4R2 538/4885ABCB11 1729/4885
US-20050197372-A1 Use of valsartan or its metabolite to inhibit platelet aggregation PTAFR, PDGFRA, ACE AGTR1 14/4885LTB4R2 311/4885ABCB11 2341/4885

“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.