SCHEMBL3554859

SCHEMBL3554859

C[C@@H](c1ccc(N2CCN(C(=O)C(F)(F)F)CC2)cc1)N(C(=O)O)C(C)(C)C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 5/20 0.44
RORC P51449 3/20 0.40
DPP4 P27487 1/20 0.40
DPP7 Q9UHL4 1/20 0.40
PANK3 Q9H999 2/20 0.40
CA12 O43570 1/20 0.38
CA2 P00918 1/20 0.38
CA9 Q16790 1/20 0.38
ALDH1A1 P00352 4/20 0.37
LMNA P02545 3/20 0.37
GAA P10253 2/20 0.37
MAPT P10636 4/20 0.37
HTT P42858 3/20 0.37
NPSR1 Q6W5P4 2/20 0.37
KDM4E B2RXH2 2/20 0.37
ALOX15 P16050 2/20 0.37
TDP1 Q9NUW8 2/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
TP53 P04637 1/20 0.37

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
SCHEMBL3554678 0.86 MAPK1 (0.43) MAPK1PANK3ALDH1A1LMNAMAPT
SCHEMBL2427683 0.84 RORC (0.46) RORCALDH1A1LMNAGAAMAPT
SCHEMBL3558684 0.81 NAMPT (0.43) DPP4DPP7
SCHEMBL23544891 0.81 PANK3 (0.56) MAPK1PANK3CA12CA2CA9
SCHEMBL2200188 0.81 KDM1A (0.38) RORCDPP4DPP7
SCHEMBL3555287 0.80 CHKA (0.46) RORCLMNASMN1; SMN2TP53
SCHEMBL3549751 0.78 NAMPT (0.43) ALDH1A1MAPTALOX15SMN1; SMN2TSHR
SCHEMBL3548678 0.77 ACACB (0.38) DPP4DPP7
SCHEMBL3555656 0.76 ADRA2A (0.40) RORC
SCHEMBL3549591 0.76 ACACB (0.44) DPP4DPP7

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 MAPK1 390/4885RORC 2839/4885DPP4 3727/4885

“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.