SCHEMBL1000486

SCHEMBL1000486

O=C(O)c1cc(S(=O)(=O)N2CCCCC2)ccc1O

nearest known ligand 0.74

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.74
TSHR P16473 2/20 0.74
CYP3A4 P08684 1/20 0.72
HSD17B10 Q99714 2/20 0.69
KDM4E B2RXH2 1/20 0.59
ALDH1A1 P00352 1/20 0.59
HPGD P15428 1/20 0.59
PKM P14618 1/20 0.59
MAPT P10636 1/20 0.56
IL1RN P18510 1/20 0.56
KMT2A Q03164 3/20 0.56
MEN1 O00255 2/20 0.56
USP2 O75604 1/20 0.56
CYP19A1 P11511 1/20 0.54

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
SCHEMBL1546612 0.98 POLB (0.76) POLBTSHRCYP3A4HSD17B10KDM4E
SCHEMBL1647757 0.85 POLB (0.88) POLBTSHRCYP3A4HSD17B10KDM4E
SCHEMBL1708867 0.85 TSHR (1.00) POLBTSHRCYP3A4HSD17B10KDM4E
SCHEMBL4718657 0.84 CYP3A4 (1.00) TSHRCYP3A4HSD17B10KDM4EALDH1A1
SCHEMBL11825142 0.84 TSHR (0.72) POLBTSHRCYP3A4HSD17B10PKM
SCHEMBL4717672 0.84 TSHR (0.72) POLBTSHRCYP3A4HSD17B10KDM4E
SCHEMBL11178443 0.84 CYP3A4 (1.00) TSHRCYP3A4HSD17B10KDM4EALDH1A1
SCHEMBL3921818 0.83 TSHR (0.97) POLBTSHRCYP3A4HSD17B10KDM4E
SCHEMBL1647455 0.83 GLA (0.64) POLBTSHRCYP3A4HSD17B10KDM4E
SCHEMBL4469033 0.82 SERPINE1 (0.72) POLBTSHRCYP3A4HSD17B10KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104352492-A Long-chain fatty acyl elongase inhibitor comprising arylsulfonyl derivative as active ingredient MSD KK 2015-02-18 CN disclosed
EP-2280001-B1 LONG-CHAIN FATTY ACID ELONGATION ENZYME INHIBITOR COMPRISING ARYLSULFONYL DERIVATIVE AS ACTIVE INGREDIENT MSD KK (JP) 2014-10-15 EP disclosed
US-8420823-B2 Long-chain fatty acyl elongase inhibitor comprising arylsulfonyl derivative as active ingredient MSD K.K. (JP) 2013-04-16 US disclosed
EP-2280001-A1 LONG-CHAIN FATTY ACID ELONGATION ENZYME INHIBITOR COMPRISING ARYLSULFONYL DERIVATIVE AS ACTIVE INGREDIENT Banyu Pharmaceutical Co., Ltd. (JP) 2011-02-02 EP disclosed
US-20110009622-A1 LONG-CHAIN FATTY ACYL ELONGASE INHIBITOR COMPRISING ARYLSULFONYL DERIVATIVE AS ACTIVE INGREDIENT MSD K.K. (JP) 2011-01-13 US disclosed
EP-1615904-B1 SUBSTITUTED BENZOSULPHONAMIDES AS POTENTIATORS OF GLUTAMATE RECEPTORS ASTRAZENECA AB (SE) 2008-02-27 EP disclosed
US-20070021606-A1 Therapeutic compounds ASTRAZENECA AB (SE) 2007-01-25 US disclosed
EP-1615904-A2 SUBSTITUTED BENZOSULPHONAMIDE AS POTENTIATORS OF GLUTAMATE RECEPTORS AstraZeneca AB (SE) 2006-01-18 EP disclosed
WO-2004092135-A2 SUBSTITUTED BENZOSULPHONAMIDE AS POTENTIATORS OF GLUTAMATE RECEPTORS ASTRAZENECA (SE) 2004-10-28 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-20110009622-A1 LONG-CHAIN FATTY ACYL ELONGASE INHIBITOR COMPRISING ARYLSULFONYL DERIVATIVE AS ACTIVE INGREDIENT ELOVL1, ELOVL6, ELOVL3 POLB 3156/4885TSHR 3094/4885CYP3A4 984/4885
US-20070021606-A1 Therapeutic compounds GRIN1, GRIN3A, GRM2 POLB 3790/4885TSHR 685/4885CYP3A4 3976/4885

“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.