SCHEMBL4308980

SCHEMBL4308980

COc1cccc(C(=O)NCc2cccs2)c1

nearest known ligand 0.72

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.71
MEN1 O00255 2/20 0.71
ALDH1A1 P00352 1/20 0.68
RAB9A P51151 4/20 0.65
NPC1 O15118 2/20 0.65
HPGD P15428 5/20 0.63
MMP13 P45452 1/20 0.61
GAA P10253 1/20 0.60
SMN1; SMN2 Q16637 1/20 0.59
USP2 O75604 1/20 0.59
HTT P42858 1/20 0.59
LMNA P02545 1/20 0.58
CYP2C9 P11712 1/20 0.57
BCHE P06276 1/20 0.57
ACHE P22303 1/20 0.57

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
SCHEMBL5344706 0.87 BRD4 (0.67) KMT2AMEN1ALDH1A1RAB9ANPC1
SCHEMBL21903057 0.85 SMN1; SMN2 (0.60) KMT2AMEN1ALDH1A1RAB9ANPC1
SCHEMBL5350551 0.85 RAB9A (0.76) KMT2AMEN1ALDH1A1RAB9ANPC1
SCHEMBL29818326 0.80 HPGD (0.68) KMT2AMEN1ALDH1A1RAB9ANPC1
SCHEMBL31396768 0.80 HPGD (0.68) KMT2AMEN1ALDH1A1RAB9AHPGD
SCHEMBL7145756 0.80 MMP13 (0.59) KMT2AMEN1ALDH1A1RAB9ANPC1
SCHEMBL9416645 0.79 MMP13 (0.94) KMT2AMEN1ALDH1A1HPGDMMP13
SCHEMBL2234130 0.78 HPGD (1.00) KMT2AMEN1ALDH1A1RAB9ANPC1
SCHEMBL7938316 0.78 HPGD (0.56) KMT2AMEN1ALDH1A1RAB9AHPGD
SCHEMBL2922655 0.78 MMP13 (0.81) KMT2AMEN1ALDH1A1RAB9ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1322642-B1 Pharmaceutically active sulfonamide derivatives bearing both lipophilic and ionisable moieties as inhibitors of Protein Jun-kinases MERCK SERONO SA (CH) 2013-09-04 EP disclosed
US-7544700-B2 Pharmaceutically active sulfonamide derivatives bearing both lipophilic and ionisable moieties as inhibitors of protein JunKinases LABORATOIRES SERONO SA (CH) 2009-06-09 US disclosed
US-7230020-B2 11β-hydroxysteroid dehydrogenase inhibitors STERIX LIMITED (GB) 2007-06-12 US disclosed
US-7230020-B2 11β-hydroxysteroid dehydrogenase inhibitors STERIX LIMITED (GB) 2007-06-12 US disclosed
US-7230020-B2 11β-hydroxysteroid dehydrogenase inhibitors STERIX LIMITED (GB) 2007-06-12 US disclosed
EP-1675844-A1 PHENYL CARBOXAMIDE AND SULFONAMIDE DERIVATIVES FOR USE AS 11-BETA-HYDROXYSTEROID DEHYDROGENASE Sterix Limited (GB) 2006-07-05 EP disclosed
US-20050227987-A1 11beta-hydroxysteroid dehydrogenase inhibitors STERIX LIMITED (GB) 2005-10-13 US disclosed
WO-2005042513-A1 PHENYL CARBOXAMIDE AND SULFONAMIDE DERIVATIVES FOR USE AS 11-BETA-HYDROXYSTEROID DEHYDROGENASE STERIX LIMITED (GB) 2005-05-12 WO disclosed
US-20040077854-A1 Pharmaceutically active sulfonamide derivatives bearing both lipophilic and ionisable moietties as inhibitors of protein junkinases MERCK SERONO SA (CH) 2004-04-22 US disclosed
EP-1322642-A2 sHARMACEUTICALLY ACTIVE SULFONAMIDE DERIVATIVES BEARING BOTH LIPOPHILIC AND IONISABLE MOIETIES AS INHIBITORS OF PROTEIN JUNKINASES Applied Research Systems ARS Holding N.V. (AN) 2003-07-02 EP disclosed
WO-2002026733-A2 sHARMACEUTICALLY ACTIVE SULFONAMIDE DERIVATIVES BEARING BOTH LIPOPHILIC AND IONISABLE MOIETIES AS INHIBITORS OF PROTEIN JUNKINASES APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2002-04-04 WO disclosed
EP-1193268-A1 Pharmaceutically active sulfonamide derivatives bearing both lipophilic and ionisable moieties as inhibitors of protein Junkinases Applied Research Systems ARS Holding N.V. (AN) 2002-04-03 EP 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-20040077854-A1 Pharmaceutically active sulfonamide derivatives bearing both lipophilic and ionisable moietties as inhibitors of protein junkinases MAPK1, MAP3K1, MAPKAPK2 KMT2A 1159/4885MEN1 2351/4885ALDH1A1 1726/4885
US-20050227987-A1 11beta-hydroxysteroid dehydrogenase inhibitors HSD3B1, HSD3B2, HSD17B3 KMT2A 1973/4885MEN1 2978/4885ALDH1A1 378/4885

“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.