SCHEMBL14059017

SCHEMBL14059017

CCOCCOc1ccc2ccc(S(=O)(=O)O)cc2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NCF1 P14598 2/20 0.49
KDM4E B2RXH2 4/20 0.47
MAPK1 P28482 2/20 0.47
TDP1 Q9NUW8 2/20 0.47
TSHR P16473 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.45
HSD17B10 Q99714 2/20 0.45
ALDH1A1 P00352 1/20 0.45
HPGD P15428 1/20 0.45
GAA P10253 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
PDE3B Q13370 1/20 0.43
PDE3A Q14432 1/20 0.43
P2RY12 Q9H244 1/20 0.43
RAPGEF3 O95398 1/20 0.43
RAB9A P51151 2/20 0.42
NPC1 O15118 1/20 0.42
MAPT P10636 1/20 0.42
MMP3 P08254 1/20 0.42
HRAS P01112 1/20 0.41

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
SCHEMBL2332244 0.87 KDM4E (0.58) KDM4EMAPK1TDP1TSHRSMN1; SMN2
SCHEMBL14061028 0.86 NCF1 (0.52) NCF1KDM4EMAPK1TDP1TSHR
SCHEMBL4018652 0.84 CA12 (0.54) KDM4ETSHRSMN1; SMN2HSD17B10ALDH1A1
SCHEMBL15801047 0.84 KDM4E (0.61) KDM4EMAPK1TDP1TSHRSMN1; SMN2
SCHEMBL6367290 0.84 MMP3 (0.51) MAPK1TSHRSMN1; SMN2ALDH1A1GAA
SCHEMBL9292844 0.83 MAPK1 (0.50) NCF1KDM4EMAPK1TDP1SMN1; SMN2
SCHEMBL4015212 0.82 CA12 (0.53) KDM4ETSHRSMN1; SMN2HSD17B10ALDH1A1
SCHEMBL6363396 0.82 MMP3 (0.50) KDM4EMAPK1TSHRSMN1; SMN2ALDH1A1
SCHEMBL9565170 0.82 MAPK1 (0.49) NCF1KDM4EMAPK1TDP1SMN1; SMN2
SCHEMBL7271429 0.80 S1PR3 (0.58) MAPK1TSHRL3MBTL1RAB9ANPC1

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
US-9346795-B2 Substituted sulfonamides useful as antiapoptotic Bcl inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2016-05-24 US disclosed
CN-103732589-B Can be used as the sulphonamide of the replacement of anti-apoptotic BCL inhibitor BRISTOL-MYERS SQUIBB CO. (US) 2016-03-30 CN disclosed
EP-2714681-B1 SUBSTITUTED SULFONAMIDES USEFUL AS ANTIAPOPTOTIC BCL INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2015-06-24 EP disclosed
US-20140135318-A1 SUBSTITUTED SULFONAMIDES USEFUL AS ANTIAPOPTOTIC BCL INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2014-05-15 US disclosed
WO-2012162365-A1 SUBSTITUTED SULFONAMIDES USEFUL AS ANTIAPOPTOTIC BCL INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2012-11-29 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-20140135318-A1 SUBSTITUTED SULFONAMIDES USEFUL AS ANTIAPOPTOTIC BCL INHIBITORS BCL2, BAX, BCL2A1 NCF1 1726/4885KDM4E 2440/4885MAPK1 2886/4885

“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.