SCHEMBL2317

SCHEMBL2317

CC(C)[C@H](NCc1ccc(-c2ccccc2C#N)cc1)C(=O)OCc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.48
AKR1B1 P15121 1/20 0.48
PTPN1 P18031 1/20 0.46
MME P08473 1/20 0.44
CTSL P07711 3/20 0.43
CTSB P07858 2/20 0.43
CTSS P25774 2/20 0.43
CTSK P43235 2/20 0.43
MYC P01106 1/20 0.43
WDR5 P61964 1/20 0.43
TRPM8 Q7Z2W7 1/20 0.43
ESR2 Q92731 1/20 0.42
EGLN1 Q9GZT9 1/20 0.41
CTSD P07339 1/20 0.41
ITGB1 P05556 1/20 0.41
ITGA4 P13612 1/20 0.41
OXTR P30559 1/20 0.41
AVPR1A P37288 1/20 0.41
ADAM17 P78536 1/20 0.41
ADAMTS4 O75173 1/20 0.40

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
SCHEMBL14004740 1.00 FFAR1 (0.48) FFAR1AKR1B1PTPN1MMECTSL
Hydrochloric Acid SCHEMBL3473569 0.99 FFAR1 (0.47) FFAR1AKR1B1PTPN1MMECTSL
Hydrochloric Acid SCHEMBL2728 0.99 FFAR1 (0.47) FFAR1AKR1B1PTPN1MMECTSL
SCHEMBL8813467 0.90 FFAR1 (0.44) FFAR1AKR1B1PTPN1MMECTSL
SCHEMBL2565791 0.90 FFAR1 (0.43) FFAR1AKR1B1PTPN1MMECTSL
SCHEMBL2432 0.89 MYC (0.45) FFAR1AKR1B1PTPN1MMEMYC
SCHEMBL8065614 0.89 MYC (0.45) FFAR1AKR1B1PTPN1MMEMYC
SCHEMBL2174 0.89 MYC (0.45) FFAR1AKR1B1PTPN1MMEMYC
SCHEMBL2437416 0.88 CTSS (0.42) PTPN1CTSLCTSBCTSSCTSK
Oxalic Acid SCHEMBL1616541 0.88 MME (0.44) FFAR1AKR1B1PTPN1MMEMYC

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 29 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8492577-B2 Process for preparation of valsartan intermediate HETERO RESEARCH FOUNDATION (IN) 2013-07-23 US claimed
US-20110237822-A1 PROCESS FOR PREPARATION OF VALSARTAN INTERMEDIATE HETERO RESEARCH FOUNDATION (IN) 2011-09-29 US claimed
EP-2260018-A2 PROCESS FOR PREPARATION OF VALSARTAN INTERMEDIATE Hetero Research Foundation (IN) 2010-12-15 EP claimed
WO-2009125416-A2 PROCESS FOR PREPARATION OF VALSARTAN INTERMEDIATE HETERO RESEARCH FOUNDATION (IN) 2009-10-15 WO claimed
JP-11322697-A None JP disclosed
US-8492577-B2 Process for preparation of valsartan intermediate HETERO RESEARCH FOUNDATION (IN) 2013-07-23 US disclosed
US-8492577-B2 Process for preparation of valsartan intermediate HETERO RESEARCH FOUNDATION (IN) 2013-07-23 US disclosed
US-8492577-B2 Process for preparation of valsartan intermediate HETERO RESEARCH FOUNDATION (IN) 2013-07-23 US disclosed
US-20110237822-A1 PROCESS FOR PREPARATION OF VALSARTAN INTERMEDIATE HETERO RESEARCH FOUNDATION (IN) 2011-09-29 US disclosed
US-20110237822-A1 PROCESS FOR PREPARATION OF VALSARTAN INTERMEDIATE HETERO RESEARCH FOUNDATION (IN) 2011-09-29 US disclosed
US-7943794-B2 Processes for the preparation of intermediates of valsartan RANBAXY LABORATORIES LIMITED (IN) 2011-05-17 US disclosed
US-7943794-B2 Processes for the preparation of intermediates of valsartan RANBAXY LABORATORIES LIMITED (IN) 2011-05-17 US disclosed
WO-2005049588-A1 PROCESS FOR ISOLATION OF VALSARTAN RANBAXY LABORATORIES LIMITED (IN) 2005-06-02 WO 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
JP-H11322697-A PRODUCTION OF, N-((2'-CYANOBIPHENYL-4-YL)METHYL)-L-VALINE BENZYL ESTER AND NEW SALT OF THE SAME COMPOUND SUMIKA FINE CHEMICALS CO LTD 1999-11-24 JP disclosed
US-5965592-A HYPOTENSIVE AGENTS NOVARTIS CORPORATION (US) 1999-10-12 US disclosed
EP-0443983-B1 Acyl compounds CIBA GEIGY AG (CH) 1996-02-28 EP disclosed
US-5399578-A Hypotensive; valsartan; high blood pressure and cardiac insufficiency CIBA-GEIGY CORP (US) 1995-03-21 US disclosed
EP-0443983-A1 Acyl compounds CIBA-GEIGY AG (CH) 1991-08-28 EP 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-20110237822-A1 PROCESS FOR PREPARATION OF VALSARTAN INTERMEDIATE REN, AGT, ACE FFAR1 2643/4885AKR1B1 139/4885PTPN1 4291/4885

“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.