SCHEMBL4092754

SCHEMBL4092754

CC(C)(C)OC(=O)N[C@H](CCCC(=O)c1ccc(F)cc1)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CTSS P25774 1/20 0.49
CTSK P43235 1/20 0.49
CXCR3 P49682 1/20 0.47
PPARG P37231 7/20 0.47
PPARA Q07869 7/20 0.47
PPARD Q03181 2/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
JAK3 P52333 1/20 0.46
BTK Q06187 1/20 0.46
HTR7 P34969 1/20 0.46
FOLH1 Q04609 6/20 0.46
ACE P12821 1/20 0.45
ALDH1A1 P00352 1/20 0.45
TSHR P16473 1/20 0.45

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
SCHEMBL4092761 1.00 CTSS (0.49) CTSSCTSKCXCR3PPARGPPARA
SCHEMBL4510174 0.88 PPARG (0.58) CTSSCTSKPPARGPPARAPPARD
SCHEMBL4510182 0.88 PPARG (0.58) CTSSCTSKPPARGPPARAPPARD
SCHEMBL4510911 0.87 PPARA (0.45) CTSSCTSKPPARGPPARAPPARD
SCHEMBL4510905 0.87 PPARA (0.45) CTSSCTSKPPARGPPARAPPARD
SCHEMBL4707727 0.85 ACE (0.44) CTSSCTSKPPARGPPARAPPARD
SCHEMBL4707730 0.85 ACE (0.44) CTSSCTSKPPARGPPARAPPARD
SCHEMBL5007433 0.83 CTSK (0.57) CTSSCTSKPPARGPPARAPPARD
SCHEMBL5007432 0.83 CTSK (0.57) CTSSCTSKPPARGPPARAPPARD
SCHEMBL23878363 0.82 ALDH1A1 (0.47) CTSSCTSKCXCR3PPARGPPARA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090203697-A1 HETEROCYCLIC TYPE CINNAMIDE DERIVATIVE EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-08-13 US disclosed
EP-2019094-A1 HETEROCYCLIC TYPE CINNAMIDE DERIVATIVE Eisai R&D Management Co., Ltd. (JP) 2009-01-28 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-20090203697-A1 HETEROCYCLIC TYPE CINNAMIDE DERIVATIVE CLIC4, NR3C2, MAN2B1 CTSS 2921/4885CTSK 3249/4885CXCR3 1691/4885

“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.