SCHEMBL791010

SCHEMBL791010

CNS(=O)(=O)c1cccc(F)c1F

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PTGES2 Q9H7Z7 2/20 0.54
ALDH1A1 P00352 2/20 0.50
ALOX5AP P20292 4/20 0.42
FEN1 P39748 4/20 0.42
AKR1B1 P15121 1/20 0.41
TSHR P16473 1/20 0.41
CYP1A2 P05177 1/20 0.41
KAT6A Q92794 2/20 0.40
SGK1 O00141 1/20 0.39
LMNA P02545 1/20 0.39

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
SCHEMBL1621373 0.83 ALDH1A1 (0.67) ALDH1A1ALOX5APFEN1TSHRCYP1A2
SCHEMBL29689413 0.82 SLC40A1 (0.51) ALDH1A1ALOX5APFEN1TSHRCYP1A2
SCHEMBL28712389 0.82 PTGES2 (0.56) PTGES2ALDH1A1AKR1B1KAT6ASGK1
SCHEMBL23962786 0.81 HTR6 (0.44) PTGES2ALDH1A1ALOX5APFEN1TSHR
SCHEMBL16002844 0.81 PTGES2 (0.56) PTGES2ALDH1A1ALOX5APFEN1KAT6A
SCHEMBL24429391 0.81 NSD2 (0.51) PTGES2ALDH1A1ALOX5APFEN1LMNA
SCHEMBL5556357 0.80 PTGES2 (0.58) PTGES2ALDH1A1AKR1B1KAT6ASGK1
SCHEMBL26426122 0.79 ALDH1A1 (0.42) PTGES2ALDH1A1ALOX5APFEN1TSHR
SCHEMBL15924548 0.77 FEN1 (0.54) ALDH1A1ALOX5APFEN1CYP1A2
SCHEMBL15116336 0.77 PKM (0.49) ALDH1A1KAT6ALMNA

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
WO-2019025156-A1 SUBSTITUTED PYRROLIDINONES, SALTS THEREOF AND USE THEREOF AS HERBICIDAL AGENTS BAYER AKTIENGESELLSCHAFT (DE) 2019-02-07 WO disclosed
WO-2012087938-A1 QUINAZOLINONE DERIVATIVES AS ANTIVIRAL AGENTS GLAXOSMITHKLINE LLC (US) 2012-06-28 WO disclosed
WO-2012037108-A1 AMINOQUINOLINE DERIVATIVES AS ANTIVIRAL AGENTS GLAXOSMITHKLINE LLC (US) 2012-03-22 WO disclosed
US-7750161-B2 Pyridine derivatives ACTELION PHARMACEUTICALS, LTD. (CH) 2010-07-06 US disclosed
US-20070043081-A1 Novel pyridine derivatives ACTELION PHARMACEUTICALS, LTD. (CH) 2007-02-22 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-20070043081-A1 Novel pyridine derivatives P2RY4, P2RX6, P2RX4 PTGES2 642/4885ALDH1A1 2078/4885ALOX5AP 742/4885

“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.