SCHEMBL12430463

SCHEMBL12430463

O=C(CF)c1ccccc1Cl

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERCC5 P28715 1/20 0.58
FEN1 P39748 1/20 0.58
CES2 O00748 1/20 0.58
CES1 P23141 1/20 0.58
ALDH1A1 P00352 3/20 0.56
POLB P06746 2/20 0.52
MAPT P10636 2/20 0.50
RAB9A P51151 4/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
KDM4E B2RXH2 1/20 0.47
LMNA P02545 1/20 0.47
HPGD P15428 3/20 0.46
CYP1A2 P05177 2/20 0.46
CYP2C19 P33261 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.45
CXCR3 P49682 1/20 0.44
NPC1 O15118 1/20 0.43
TP53 P04637 1/20 0.43
HSP90AA1 P07900 1/20 0.43

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
SCHEMBL15979733 0.82 CES2 (0.62) ERCC5FEN1CES2CES1ALDH1A1
SCHEMBL29987169 0.82 ERCC5 (0.74) ERCC5FEN1CES2CES1ALDH1A1
SCHEMBL11264706 0.80 ERCC5 (0.51) ERCC5FEN1CES2CES1ALDH1A1
SCHEMBL29560924 0.80 CES2 (0.60) ERCC5FEN1CES2CES1ALDH1A1
SCHEMBL1266557 0.80 CES2 (0.60) ERCC5FEN1CES2CES1ALDH1A1
SCHEMBL976846 0.80 CES2 (0.60) ERCC5FEN1CES2CES1ALDH1A1
SCHEMBL2848421 0.80 CES2 (0.60) ERCC5FEN1CES2CES1ALDH1A1
SCHEMBL38141 0.78 ERCC5 (0.58) ERCC5FEN1CES2CES1ALDH1A1
SCHEMBL30839506 0.78 ERCC5 (0.58) ERCC5FEN1CES2CES1ALDH1A1
SCHEMBL2837238 0.78 ERCC5 (0.58) ERCC5FEN1CES2CES1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107098846-B N-acyl sulfonamide FBPase inhibitor, preparation method thereof, pharmaceutical composition and application thereof 中国医学科学院药物研究所 2020-10-09 CN disclosed
CN-107098846-A N- acyl sulfonamides class FBPase inhibitor, its preparation method, pharmaceutical composition and purposes 中国医学科学院药物研究所 2017-08-29 CN disclosed
EP-1741693-B1 PROCESS FOR PRODUCTION OF OPTICALLY ACTIVE ALCOHOLS NAGOYA IND SCIENCE RES INST (JP) 2011-08-03 EP disclosed
US-20070225528-A1 Process for Producing Optically Active Alcohol NAGOYA INDUSTRIAL SCIENCE RESEARCH CENTER (JP) 2007-09-27 US disclosed
EP-1741693-A1 PROCESS FOR PRODUCTION OF OPTICALLY ACTIVE ALCOHOLS Nagoya Industrial Science Research Institute (JP) 2007-01-10 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-20070225528-A1 Process for Producing Optically Active Alcohol ADH1C, ADH1A, ADH5 ERCC5 4420/4885FEN1 4394/4885CES2 373/4885

“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.