SCHEMBL30288263

SCHEMBL30288263

NC(C(=O)O)C(F)(F)c1cccc(C(F)(F)F)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 2/20 0.49
SLC1A3 P43003 2/20 0.48
SLC1A2 P43004 2/20 0.48
ACP3 P15309 1/20 0.46
PNMT P11086 1/20 0.46
SRD5A2 P31213 1/20 0.45
MEN1 O00255 1/20 0.45
MAPT P10636 1/20 0.45
HTT P42858 1/20 0.45
RAB9A P51151 1/20 0.45
KMT2A Q03164 1/20 0.45
SLC1A1 P43005 1/20 0.45
PPARG P37231 3/20 0.44
KDM4E B2RXH2 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
PPARA Q07869 1/20 0.44
KIF11 P52732 1/20 0.44
TSHR P16473 1/20 0.44
MAPK1 P28482 1/20 0.44
IDO1 P14902 1/20 0.44

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
SCHEMBL4394579 0.83 KIF11 (0.46) MAPTKMT2AKIF11TSHRALDH1A1
SCHEMBL4403169 0.83 KIF11 (0.46) MAPTKMT2AKIF11TSHRALDH1A1
SCHEMBL30288291 0.83 KIF11 (0.52) SLC1A3SLC1A2SLC1A1PPARGKIF11
SCHEMBL20325662 0.83 CA1 (0.49) CES2SLC1A3SLC1A2ACP3SLC1A1
SCHEMBL13205248 0.82 KIF11 (0.47) CES2SLC1A3SLC1A2SRD5A2RAB9A
SCHEMBL21501272 0.80 PTGS1 (0.47) MEN1KMT2APPARGKDM4EPPARA
SCHEMBL30412503 0.79 PNMT (0.54) CES2SLC1A3SLC1A2ACP3PNMT
SCHEMBL20764680 0.79 PNMT (0.54) CES2SLC1A3SLC1A2ACP3PNMT
SCHEMBL29620336 0.79 PNMT (0.54) CES2SLC1A3SLC1A2ACP3PNMT
SCHEMBL3617920 0.79 PNMT (0.54) CES2SLC1A3SLC1A2ACP3PNMT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230055237-A1 COMPOUNDS AND METHODS FOR THE TREATMENT OF CYSTIC FIBROSIS FLATLEY DISCOVERY LAB, LLC 2023-02-23 US 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-20230055237-A1 COMPOUNDS AND METHODS FOR THE TREATMENT OF CYSTIC FIBROSIS CFTR, MPST, CRAT CES2 415/4885SLC1A3 3095/4885SLC1A2 2765/4885

“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.