SCHEMBL3629638

SCHEMBL3629638

CCOCCSc1cc(C)c(-c2cccc(CO)c2)c(C)c1

nearest known ligand 0.43

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 15/20 0.43
NR1H2 P55055 1/20 0.38
NR1H3 Q13133 1/20 0.38
SDCBP O00560 1/20 0.37
SDC2 P34741 1/20 0.37
PRKCI P41743 1/20 0.37

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
SCHEMBL1099545 0.82 FFAR1 (0.62) FFAR1
SCHEMBL3633083 0.78 BRD4 (0.42) FFAR1
SCHEMBL3451644 0.75 PRKCI (0.49) FFAR1NR1H2NR1H3PRKCI
SCHEMBL1508340 0.75 HTR7 (0.59) FFAR1NR1H2NR1H3PRKCI
SCHEMBL204396 0.74 FFAR1 (0.45) FFAR1NR1H2NR1H3
SCHEMBL12577783 0.74 FFAR1 (0.44) FFAR1NR1H2NR1H3
SCHEMBL205233 0.74 CNR2 (0.48) FFAR1NR1H2NR1H3PRKCI
SCHEMBL16532872 0.73 FFAR1 (0.46) FFAR1NR1H2NR1H3
SCHEMBL28011376 0.70 CNR2 (0.48) FFAR1NR1H2NR1H3PRKCI
SCHEMBL12577781 0.69 FFAR1 (0.55) FFAR1

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-7786165-B2 Aminophenylpropanoic acid derivative TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-08-31 US disclosed
US-7786165-B2 Aminophenylpropanoic acid derivative TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-08-31 US disclosed
US-7786165-B2 Aminophenylpropanoic acid derivative TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-08-31 US disclosed
US-20080269220-A1 Aminophenylpropanoic Acid Derivative TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-10-30 US disclosed
US-20080269220-A1 Aminophenylpropanoic Acid Derivative TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-10-30 US disclosed
US-20080269220-A1 Aminophenylpropanoic Acid Derivative TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-10-30 US disclosed
EP-1726580-A1 AMINOPHENYLPROPANOIC ACID DERIVATIVE Takeda Pharmaceutical Company Limited (JP) 2006-11-29 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-20080269220-A1 Aminophenylpropanoic Acid Derivative GPR119, GPR55, GPR65 FFAR1 5/4885NR1H2 241/4885NR1H3 399/4885

“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.