SCHEMBL3921153

SCHEMBL3921153

CCCN(Cc1nc(-c2ccccc2)cs1)c1ccc(COc2ccc(CCC(=O)OC)cc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 3/20 0.44
PTPN2 P17706 1/20 0.43
PTPN1 P18031 1/20 0.43
ATP4A P20648 2/20 0.41
ATP4B P51164 2/20 0.41
MMP13 P45452 6/20 0.41
BCHE P06276 2/20 0.41
NPSR1 Q6W5P4 1/20 0.41
MMP2 P08253 3/20 0.40
MAPK1 P28482 1/20 0.40
PPARD Q03181 2/20 0.40
MMP1 P03956 2/20 0.40
MMP9 P14780 2/20 0.40
VDR P11473 1/20 0.40
NOX1 Q9Y5S8 1/20 0.40
PPARA Q07869 1/20 0.40
PPARG P37231 1/20 0.39

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
SCHEMBL3918038 0.92 FFAR1 (0.52) FFAR1PTPN2PTPN1PPARDPPARA
SCHEMBL3920081 0.92 FFAR1 (0.45) FFAR1MMP13NPSR1MMP2PPARD
SCHEMBL3629574 0.87 MAPK1 (0.42) FFAR1MAPK1
SCHEMBL1745481 0.86 NPSR1 (0.47) FFAR1ATP4AATP4BBCHENPSR1
SCHEMBL3921477 0.86 FFAR1 (0.54) FFAR1MMP13MMP2PPARD
SCHEMBL3910951 0.84 FFAR1 (0.52) FFAR1
SCHEMBL3917024 0.81 NPSR1 (0.53) FFAR1NPSR1PPARDVDR
SCHEMBL1745444 0.81 KMT2A (0.48) FFAR1ATP4AATP4BMMP13NPSR1
SCHEMBL1745386 0.80 ATP4A (0.45) FFAR1ATP4AATP4BNPSR1PPARD
SCHEMBL1746563 0.79 KMT2A (0.49) FFAR1NPSR1PPARDVDRPPARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1698624-B1 PHENYLPROPANOIC ACID DERIVATIVES TAKEDA PHARMACEUTICAL (JP) 2012-06-27 EP disclosed
US-7585880-B2 Phenylpropanoic acid derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-09-08 US disclosed
US-7585880-B2 Phenylpropanoic acid derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-09-08 US disclosed
US-7585880-B2 Phenylpropanoic acid derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-09-08 US disclosed
US-20070155808-A1 Phenylpropanoic acid derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-07-05 US disclosed
US-20070155808-A1 Phenylpropanoic acid derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-07-05 US disclosed
US-20070155808-A1 Phenylpropanoic acid derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-07-05 US disclosed
EP-1698624-A1 PHENYLPROPANOIC ACID DERIVATIVES Takeda Pharmaceutical Company Limited (JP) 2006-09-06 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-20070155808-A1 Phenylpropanoic acid derivatives GPR119, GPR55, FFAR1 FFAR1 3/4885PTPN2 939/4885PTPN1 332/4885

“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.