SCHEMBL2438545

SCHEMBL2438545

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 2/20 0.48
AKR1B1 P15121 1/20 0.48
OXTR P30559 1/20 0.45
AVPR1A P37288 1/20 0.45
PTPN1 P18031 1/20 0.44
ESR2 Q92731 1/20 0.42
MME P08473 1/20 0.41
EGLN1 Q9GZT9 1/20 0.41
CTSL P07711 3/20 0.41
CTSB P07858 3/20 0.41
CTSK P43235 3/20 0.41
CTSS P25774 2/20 0.41
GRIA2 P42262 1/20 0.40
GRIA4 P48058 1/20 0.40
ITGB1 P05556 1/20 0.39
ITGA4 P13612 1/20 0.39
EPOR P19235 1/20 0.37
MYC P01106 1/20 0.37
WDR5 P61964 1/20 0.37
LTB4R2 Q9NPC1 1/20 0.36

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
SCHEMBL2141 0.91 FFAR1 (0.43) FFAR1AKR1B1OXTRAVPR1APTPN1
SCHEMBL14998792 0.88 AGTR1 (0.44) FFAR1AKR1B1OXTRAVPR1APTPN1
SCHEMBL14004743 0.88 FFAR1 (0.48) FFAR1AKR1B1OXTRAVPR1APTPN1
SCHEMBL3664 0.87 FFAR1 (0.45) FFAR1AKR1B1OXTRAVPR1APTPN1
SCHEMBL2651 0.86 ALDH1A1 (0.52) FFAR1AKR1B1OXTRAVPR1APTPN1
SCHEMBL3473577 0.85 FFAR1 (0.46) FFAR1AKR1B1OXTRAVPR1APTPN1
SCHEMBL3473572 0.85 FFAR1 (0.46) FFAR1AKR1B1OXTRAVPR1APTPN1
SCHEMBL6509546 0.85 ALDH1A1 (0.49) FFAR1AKR1B1OXTRAVPR1APTPN1
SCHEMBL1820 0.85 FFAR1 (0.43) FFAR1AKR1B1OXTRAVPR1APTPN1
SCHEMBL2140 0.84 AGTR1 (0.54) FFAR1AKR1B1LTB4R2

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 11 patents. 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
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
EP-2260018-A2 PROCESS FOR PREPARATION OF VALSARTAN INTERMEDIATE Hetero Research Foundation (IN) 2010-12-15 EP disclosed
WO-2009125416-A2 PROCESS FOR PREPARATION OF VALSARTAN INTERMEDIATE HETERO RESEARCH FOUNDATION (IN) 2009-10-15 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 (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 139/4885OXTR 1774/4885

“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.