SCHEMBL3628510

SCHEMBL3628510

O=C(O)CCc1c(F)cc(NCc2ccc(CN(CCc3ccccc3)c3nc(-c4ccccc4)cs3)cc2)cc1F

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
PTPRB P23467 2/20 0.42
FFAR1 O14842 9/20 0.41
FFAR4 Q5NUL3 6/20 0.41
NPSR1 Q6W5P4 2/20 0.41
GSTO1 P78417 1/20 0.41
CPB1 P15086 1/20 0.40
PPARD Q03181 2/20 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
SCHEMBL3623882 0.91 PARP1 (0.42) MEN1KMT2AL3MBTL1PTPRBNPSR1
SCHEMBL3631460 0.89 FFAR1 (0.55) MEN1KMT2AL3MBTL1FFAR1FFAR4
Hydrochloric Acid SCHEMBL3624449 0.88 FFAR1 (0.54) MEN1KMT2AL3MBTL1FFAR1FFAR4
SCHEMBL3911764 0.86 FFAR1 (0.51) MEN1KMT2AL3MBTL1FFAR1FFAR4
SCHEMBL3628578 0.82 FFAR1 (0.53) MEN1KMT2AL3MBTL1FFAR1FFAR4
SCHEMBL3628498 0.81 PPARD (0.46) MEN1KMT2AL3MBTL1FFAR1FFAR4
SCHEMBL3632250 0.81 PTPRB (0.44) MEN1KMT2AL3MBTL1PTPRBFFAR1
Hydrochloric Acid SCHEMBL3627584 0.81 FFAR1 (0.52) MEN1KMT2AL3MBTL1PTPRBFFAR1
SCHEMBL3628978 0.80 KMT2A (0.47) MEN1KMT2AL3MBTL1PTPRBFFAR1
SCHEMBL3921201 0.78 FFAR1 (0.51) MEN1KMT2AFFAR1FFAR4NPSR1

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 MEN1 3372/4885KMT2A 2669/4885L3MBTL1 3607/4885

“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.