SCHEMBL381273

SCHEMBL381273

Cc1cc(CNC(=O)O)sc1C(=O)N(C)CCN(C)C(=O)OC(C)(C)C

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 1/20 0.34
RIPK1 Q13546 1/20 0.32
PTGER4 P35408 1/20 0.32
GLS O94925 1/20 0.32
PDK2 Q15119 1/20 0.31
TRPV4 Q9HBA0 1/20 0.31
FPR3 P25089 1/20 0.31
FPR2 P25090 1/20 0.31
AAK1 Q2M2I8 1/20 0.30
GPR88 Q9GZN0 1/20 0.30
METAP2 P50579 1/20 0.30

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
SCHEMBL381274 0.79 GBA1 (0.35) GBA1GLSPDK2TRPV4
SCHEMBL381118 0.74 NPC1 (0.42) PTGER4
SCHEMBL381119 0.70 NPC1 (0.39) PTGER4
SCHEMBL380173 0.70 NPC1 (0.40) PTGER4
SCHEMBL380174 0.70 NPC1 (0.38) PTGER4
SCHEMBL5070506 0.68 CA14 (0.42) GBA1PDK2TRPV4FPR3FPR2
SCHEMBL20762898 0.68 GBA1 (0.39) GBA1PDK2FPR3FPR2AAK1
SCHEMBL10260946 0.67 HDAC6 (0.40) GBA1PDK2FPR3FPR2AAK1
SCHEMBL381479 0.66 NPC1 (0.37)
SCHEMBL31040440 0.66 CA14 (0.50) GBA1TRPV4FPR3FPR2AAK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8476253-B2 Amide derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2013-07-02 US disclosed
US-20120071467-A1 AMIDE DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-03-22 US disclosed
EP-2409977-A1 AMIDE DERIVATIVE Daiichi Sankyo Company, Limited (JP) 2012-01-25 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-20120071467-A1 AMIDE DERIVATIVE CHRM3, CHRM2, TACR2 GBA1 3140/4885RIPK1 1874/4885PTGER4 1074/4885

“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.