SCHEMBL3437202

SCHEMBL3437202

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.46
TSHR P16473 1/20 0.46
CASP1 P29466 1/20 0.46
ALDH1A1 P00352 7/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
KDM4E B2RXH2 4/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
TP53 P04637 1/20 0.42
HSD17B10 Q99714 2/20 0.42
FLT1 P17948 2/20 0.42
FLT4 P35916 2/20 0.42
KDR P35968 2/20 0.42
CYP1A2 P05177 1/20 0.42
HPGD P15428 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
MYC P01106 1/20 0.41
ACLY P53396 2/20 0.40
DCLRE1B Q9H816 1/20 0.40

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
SCHEMBL8748143 0.84 POLB (0.50) SMN1; SMN2TSHRALDH1A1KDM4EKMT2A
SCHEMBL3437085 0.82 KDM4E (0.42) ALDH1A1KDM4EKMT2AHSD17B10CYP1A2
SCHEMBL3437042 0.80 KDM4E (0.48) SMN1; SMN2TSHRALDH1A1KDM4EKMT2A
SCHEMBL6129283 0.78 KDM4E (0.51) ALDH1A1KDM4EHSD17B10CYP1A2HPGD
SCHEMBL8754734 0.78 GAA (0.38) TSHRALDH1A1L3MBTL1KDM4EMEN1
SCHEMBL1548854 0.77 SMN1; SMN2 (0.59) SMN1; SMN2TSHRCASP1ALDH1A1L3MBTL1
Ethane SCHEMBL7194508 0.75 SMN1; SMN2 (0.57) SMN1; SMN2TSHRCASP1ALDH1A1L3MBTL1
SCHEMBL7556650 0.75 TSHR (0.49) SMN1; SMN2TSHRCASP1ALDH1A1KDM4E
SCHEMBL27549003 0.75 KDM4E (0.38) TSHRALDH1A1L3MBTL1KDM4EHSD17B10
SCHEMBL8754785 0.74 POLB (0.39) SMN1; SMN2TSHRALDH1A1KDM4EHSD17B10

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 SMN1; SMN2 3482/4885TSHR 269/4885CASP1 1197/4885

“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.