SCHEMBL3437085

SCHEMBL3437085

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.42
CYP1A2 P05177 1/20 0.42
HSD17B10 Q99714 1/20 0.42
PER2 O15055 3/20 0.41
CRY1 Q16526 3/20 0.41
CRY2 Q49AN0 3/20 0.41
DCLRE1B Q9H816 1/20 0.40
SLC6A4 P31645 1/20 0.40
ALDH1A1 P00352 1/20 0.40
KEAP1 Q14145 1/20 0.40
RIPK1 Q13546 2/20 0.40
MCL1 Q07820 1/20 0.38
KMT2A Q03164 1/20 0.36
ACLY P53396 1/20 0.36
CES2 O00748 1/20 0.36
CES1 P23141 1/20 0.36
METAP2 P50579 1/20 0.36
PTGDR2 Q9Y5Y4 2/20 0.36
KDM5A P29375 1/20 0.36
KDM4C Q9H3R0 1/20 0.36

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
SCHEMBL8747754 0.84 KMT2A (0.43) KDM4ECYP1A2HSD17B10PER2CRY1
SCHEMBL3437202 0.82 SMN1; SMN2 (0.46) KDM4ECYP1A2HSD17B10DCLRE1BALDH1A1
SCHEMBL6129283 0.81 KDM4E (0.51) KDM4ECYP1A2HSD17B10ALDH1A1ACLY
Hydrochloric Acid SCHEMBL29690738 0.81 ALDH1A1 (0.46) KDM4EDCLRE1BSLC6A4ALDH1A1KEAP1
SCHEMBL3437042 0.80 KDM4E (0.48) KDM4ECYP1A2HSD17B10ALDH1A1KMT2A
SCHEMBL65008 0.77 KEAP1 (0.50) KDM4EHSD17B10DCLRE1BALDH1A1KEAP1
Hydrochloric Acid SCHEMBL29118324 0.75 KEAP1 (0.48) KDM4EHSD17B10DCLRE1BALDH1A1KEAP1
SCHEMBL7682908 0.75 KEAP1 (0.42) KDM4EHSD17B10KEAP1MCL1KMT2A
SCHEMBL10578089 0.75 NR1H2 (0.46) KDM4ECYP1A2HSD17B10PER2CRY1
SCHEMBL3437242 0.75 CES2 (0.36) KDM4ECYP1A2HSD17B10ALDH1A1ACLY

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-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
US-7807703-B2 Herbicides; pesticides BAYER CROPSCIENCE AG (DE) 2010-10-05 US disclosed
CN-1649830-A Substituted aryl ketones BAYER CROPSCIENCE AG (DE) 2005-08-03 CN disclosed
US-20050153958-A1 SUBSTITUTED ARYL KETONES BAYER INTELLECTUAL PROPERTY GMBH (DE) 2005-07-14 US 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 402/4885CYP1A2 12/4885HSD17B10 582/4885

“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.