SCHEMBL3629574

SCHEMBL3629574

CCCN(Cc1nc(-c2ccccc2)cs1)c1ccc(CNc2ccc(CCC(=O)OC)cc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.42
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
RAB9A P51151 3/20 0.42
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
GAA P10253 1/20 0.42
MAPT P10636 1/20 0.42
PKM P14618 1/20 0.42
FFAR1 O14842 8/20 0.41
FFAR4 Q5NUL3 4/20 0.41
SREBF2 Q12772 1/20 0.40
NPC1 O15118 2/20 0.39
POLB P06746 1/20 0.39
ROCK2 O75116 1/20 0.38
GRK2 P25098 1/20 0.38
HDAC3 O15379 1/20 0.38
HDAC4 P56524 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38

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
SCHEMBL3627695 0.92 FFAR1 (0.51) MEN1KMT2ARAB9AALDH1A1LMNA
SCHEMBL3921153 0.87 FFAR1 (0.44) MAPK1FFAR1
SCHEMBL3630910 0.86 KMT2A (0.44) MEN1KMT2ARAB9AALDH1A1LMNA
SCHEMBL3920081 0.81 FFAR1 (0.45) FFAR1FFAR4
SCHEMBL3628978 0.80 KMT2A (0.47) MEN1KMT2ARAB9AALDH1A1LMNA
SCHEMBL3918038 0.79 FFAR1 (0.52) FFAR1FFAR4
SCHEMBL3624503 0.79 PTGES (0.38) MEN1KMT2AALDH1A1MAPTOXTR
SCHEMBL3628578 0.78 FFAR1 (0.53) MEN1KMT2ARAB9AALDH1A1LMNA
Hydrochloric Acid SCHEMBL3627584 0.78 FFAR1 (0.52) MEN1KMT2ARAB9AALDH1A1LMNA
SCHEMBL1745481 0.73 NPSR1 (0.47) MEN1KMT2AALDH1A1MAPTFFAR1

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 MAPK1 388/4885MEN1 3372/4885KMT2A 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.