SCHEMBL3549591

SCHEMBL3549591

C[C@@H](c1ccc(N2CC[C@@H](NC(=O)C(F)(F)F)C2)cc1)N(C(=O)O)C(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ACACB O00763 8/20 0.44
CASR P41180 3/20 0.38
NAMPT P43490 2/20 0.38
HRH4 Q9H3N8 1/20 0.37
HRH3 Q9Y5N1 1/20 0.37
NOTUM Q6P988 1/20 0.37
DPP4 P27487 1/20 0.37
DPP7 Q9UHL4 1/20 0.37
FPR1 P21462 1/20 0.36
FPR2 P25090 1/20 0.36
SMPD3 Q9NY59 1/20 0.36
BTK Q06187 1/20 0.36
MOGAT2 Q3SYC2 1/20 0.36

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
SCHEMBL3548678 0.91 ACACB (0.38) ACACBDPP4DPP7
SCHEMBL3548333 0.89 NOTUM (0.45) ACACBCASRNOTUMSMPD3
SCHEMBL3552127 0.78 MCHR1 (0.47) ACACBHRH4HRH3NOTUM
SCHEMBL3554859 0.76 MAPK1 (0.44) DPP4DPP7
SCHEMBL2427683 0.74 RORC (0.46)
SCHEMBL3555656 0.73 ADRA2A (0.40)
SCHEMBL6864907 0.72 MAPT (0.51)
SCHEMBL3555287 0.70 CHKA (0.46)
SCHEMBL3558684 0.70 NAMPT (0.43) NAMPTHRH3DPP4DPP7
SCHEMBL2448926 0.69 GFER (0.45) ACACBNOTUMBTK

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-7718801-B2 Substituted imidazole derivative BANYU PHARMACEUTICAL CO., LTD. (JP) 2010-05-18 US disclosed
US-20080070894-A1 Novel Substituted Imidazole Derivative MSD K.K. (JP) 2008-03-20 US disclosed
EP-1790650-A1 NOVEL SUBSTITUTED IMIDAZOLE DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 2007-05-30 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-20080070894-A1 Novel Substituted Imidazole Derivative PLK1, CDK1, CDK11A ACACB 4501/4885CASR 2746/4885NAMPT 3577/4885

“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.