SCHEMBL14975403

SCHEMBL14975403

Cc1ccc(S(=O)(=O)OCCC2CCO2)cc1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SLC12A2 P55011 1/20 0.45
SLC12A5 Q9H2X9 1/20 0.45
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA9 Q16790 1/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
GAA P10253 3/20 0.40
POLB P06746 1/20 0.40
CYP2D6 P10635 2/20 0.40
CYP1A2 P05177 1/20 0.40
ALOX12 P18054 1/20 0.38
HSD17B10 Q99714 1/20 0.38
KDM4E B2RXH2 1/20 0.37
STAT3 P40763 1/20 0.37
RCE1 Q9Y256 1/20 0.37
HPGD P15428 1/20 0.37
ALDH1A1 P00352 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
SCHEMBL14975401 1.00 SLC12A2 (0.45) SLC12A2SLC12A5CA12CA1CA9
SCHEMBL2929267 0.93 SLC12A2 (0.54) SLC12A2SLC12A5MEN1KMT2AGAA
SCHEMBL14239450 0.92 SLC12A2 (0.50) SLC12A2SLC12A5MEN1KMT2AGAA
SCHEMBL6221876 0.88 KMT2A (0.49) SLC12A2SLC12A5CA12CA1CA9
SCHEMBL4065055 0.88 KMT2A (0.49) SLC12A2SLC12A5CA12CA1CA9
SCHEMBL2098311 0.88 KMT2A (0.49) SLC12A2SLC12A5CA12CA1CA9
SCHEMBL3938437 0.88 SLC12A2 (0.38) SLC12A2SLC12A5CA12CA1CA9
SCHEMBL19285120 0.84 SLC12A2 (0.47) SLC12A2SLC12A5MEN1KMT2AGAA
SCHEMBL19285370 0.84 SLC12A2 (0.47) SLC12A2SLC12A5MEN1KMT2AGAA
SCHEMBL283511 0.84 SLC12A2 (0.47) SLC12A2SLC12A5MEN1KMT2AGAA

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-112574175-B Quinoline compound, preparation method and application thereof 南京长澳医药科技有限公司 2023-11-14 CN disclosed
US-9309227-B2 N-biphenylmethylbenzimidazole modulators of PPARG THE SCRIPPS RESEARCH INSTITUTE (US) 2016-04-12 US disclosed
US-20150141464-A1 N-BIPHENYLMETHYLBENZIMIDAZOLE MODULATORS OF PPARG SCRIPPS RESEARCH INSTITUTE, THE 2015-05-21 US disclosed
US-20140249196-A1 N-BENZYLBENZIMIDAZOLE MODULATORS OF PPARG SCRIPPS RESEARCH INSTITUTE, THE 2014-09-04 US disclosed
WO-2013078233-A1 N-BENZYLBENZIMIDAZOLE MODULATORS OF PPARG RIPKA AMY S (US) 2013-05-30 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 (2 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-20150141464-A1 N-BIPHENYLMETHYLBENZIMIDAZOLE MODULATORS OF PPARG CDK5, PPARG, CDK5R1 SLC12A2 4428/4885SLC12A5 4072/4885CA12 4884/4885
US-20140249196-A1 N-BENZYLBENZIMIDAZOLE MODULATORS OF PPARG PPARG, CDK5, CDK5R1 SLC12A2 4285/4885SLC12A5 3989/4885CA12 4884/4885

“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.