SCHEMBL6129283

SCHEMBL6129283

CN(Cc1cc(C(F)(F)F)ccc1C(=O)O)S(C)(=O)=O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.51
HSD17B10 Q99714 3/20 0.51
ALDH1A1 P00352 2/20 0.51
HPGD P15428 2/20 0.51
USP2 O75604 1/20 0.46
CYP2C19 P33261 1/20 0.46
ACLY P53396 3/20 0.44
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
KDM1A O60341 2/20 0.42
PTGDR2 Q9Y5Y4 3/20 0.41
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
SORT1 Q99523 2/20 0.40
POLQ O75417 1/20 0.40
RXRA P19793 1/20 0.40
RXRB P28702 1/20 0.40
CES2 O00748 1/20 0.40
MRGPRX4 Q96LA9 1/20 0.39
CYP1A2 P05177 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
SCHEMBL8747756 0.85 CFTR (0.53) KDM4EHSD17B10ALDH1A1HPGDCYP3A4
SCHEMBL3437085 0.81 KDM4E (0.42) KDM4EHSD17B10ALDH1A1ACLYPTGDR2
SCHEMBL5833823 0.81 KDM4E (0.59) KDM4EHSD17B10ALDH1A1HPGDUSP2
SCHEMBL8755009 0.80 GRM5 (0.39) KDM4EALDH1A1PTGDR2MAPT
SCHEMBL421582 0.79 ALDH1A1 (0.59) KDM4EHSD17B10ALDH1A1HPGDUSP2
SCHEMBL3437202 0.78 SMN1; SMN2 (0.46) KDM4EHSD17B10ALDH1A1HPGDACLY
SCHEMBL7636060 0.77 KDM4E (0.54) KDM4EHSD17B10ALDH1A1HPGDUSP2
SCHEMBL3437042 0.76 KDM4E (0.48) KDM4EHSD17B10ALDH1A1USP2CYP1A2
SCHEMBL9995051 0.75 ALDH1A1 (0.54) KDM4EHSD17B10ALDH1A1HPGDUSP2
SCHEMBL7557948 0.74 ALDH1A1 (0.50) KDM4EHSD17B10ALDH1A1HPGDUSP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1649830-B Substituted aryl ketones BAYER CROPSCIENCE AG 2014-05-14 CN claimed
CN-1649830-A Substituted aryl ketones BAYER CROPSCIENCE AG (DE) 2005-08-03 CN claimed
US-20050153958-A1 SUBSTITUTED ARYL KETONES BAYER INTELLECTUAL PROPERTY GMBH (DE) 2005-07-14 US claimed
CN-1649830-B Substituted aryl ketones BAYER CROPSCIENCE AG 2014-05-14 CN disclosed
CN-1649830-A Substituted aryl ketones BAYER CROPSCIENCE AG (DE) 2005-08-03 CN disclosed
CN-1148385-A 4-benzoylisoxazole derivatives and their use as herbicides RHONE POULENC AGRICULTURE (GB) 1997-04-23 CN disclosed
EP-0759911-A1 4-BENZOYLISOXAZOLE DERIVATIVES AND THEIR USE AS HERBICIDES RHONE POULENC AGRICULTURE LTD. (GB) 1997-03-05 EP disclosed
WO-1995031446-A1 4-BENZOYLISOXAZOLE DERIVATIVES AND THEIR USE AS HERBICIDES RHONE POULENC AGRICULTURE LTD. (GB) 1995-11-23 WO 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-20050153958-A1 SUBSTITUTED ARYL KETONES CYP1A1, CBR3, DDT KDM4E 402/4885HSD17B10 582/4885ALDH1A1 93/4885

“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.