SCHEMBL3630892

SCHEMBL3630892

CCOC(=O)C(F)Cc1ccc(NCc2ccc(CN(CCc3ccccc3)c3nc(-c4ccccc4)cs3)cc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTPRB P23467 5/20 0.46
NPSR1 Q6W5P4 2/20 0.44
KMT2A Q03164 5/20 0.43
MEN1 O00255 4/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
HTT P42858 1/20 0.42
MAPT P10636 4/20 0.42
SREBF2 Q12772 1/20 0.41
ALDH1A1 P00352 2/20 0.40
LMNA P02545 1/20 0.40
GAA P10253 1/20 0.40
PKM P14618 1/20 0.40
RAB9A P51151 1/20 0.40
GSTO1 P78417 2/20 0.40
PTPRF P10586 1/20 0.39
PTPN2 P17706 1/20 0.39
PTPN1 P18031 1/20 0.39
PTPN11 Q06124 1/20 0.39
CPB1 P15086 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
SCHEMBL3632250 0.91 PTPRB (0.44) PTPRBNPSR1KMT2AMEN1L3MBTL1
SCHEMBL3910203 0.87 NPSR1 (0.51) PTPRBNPSR1KMT2AMEN1L3MBTL1
SCHEMBL3628978 0.85 KMT2A (0.47) PTPRBNPSR1KMT2AMEN1L3MBTL1
SCHEMBL3631460 0.85 FFAR1 (0.55) NPSR1KMT2AMEN1L3MBTL1GSTO1
Hydrochloric Acid SCHEMBL3624449 0.84 FFAR1 (0.54) NPSR1KMT2AMEN1L3MBTL1GSTO1
SCHEMBL3628578 0.81 FFAR1 (0.53) NPSR1KMT2AMEN1L3MBTL1MAPT
SCHEMBL3630910 0.81 KMT2A (0.44) PTPRBNPSR1KMT2AMEN1L3MBTL1
Hydrochloric Acid SCHEMBL3627584 0.81 FFAR1 (0.52) PTPRBKMT2AMEN1L3MBTL1MAPT
SCHEMBL3623882 0.81 PARP1 (0.42) PTPRBNPSR1KMT2AMEN1L3MBTL1
SCHEMBL3912915 0.78 KMT2A (0.49) NPSR1KMT2AMEN1L3MBTL1HTT

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 PTPRB 989/4885NPSR1 195/4885KMT2A 2669/4885

“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.