SCHEMBL3366536

SCHEMBL3366536

COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccccc2O)c2ccc(Cl)cc2)cc1OC

nearest known ligand 0.74

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
OXTR P30559 6/20 0.74
AVPR1A P37288 4/20 0.72
MAPT P10636 8/20 0.61
ALDH1A1 P00352 4/20 0.61
CYP3A4 P08684 1/20 0.61
CYP2D6 P10635 1/20 0.61
CYP2C9 P11712 1/20 0.61
CYP2C19 P33261 1/20 0.61
SMN1; SMN2 Q16637 1/20 0.61
KMT2A Q03164 4/20 0.57
MEN1 O00255 2/20 0.57
POLB P06746 1/20 0.57
KDM4E B2RXH2 3/20 0.57
GAA P10253 3/20 0.57
LMNA P02545 1/20 0.57
HPGD P15428 3/20 0.53
HCRTR1 O43613 1/20 0.51
HCRTR2 O43614 1/20 0.51

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
SCHEMBL3369096 1.00 OXTR (0.74) OXTRAVPR1AMAPTALDH1A1CYP3A4
SCHEMBL3399452 0.85 OXTR (1.00) OXTRAVPR1AMAPTALDH1A1KMT2A
SCHEMBL3366047 0.83 OXTR (1.00) OXTRAVPR1AMAPTALDH1A1KMT2A
SCHEMBL3366045 0.83 OXTR (1.00) OXTRAVPR1AMAPTALDH1A1KMT2A
SCHEMBL3365010 0.77 OXTR (0.85) OXTRAVPR1AMAPTALDH1A1CYP3A4
SCHEMBL3365017 0.77 OXTR (0.85) OXTRAVPR1AMAPTALDH1A1CYP3A4
SCHEMBL14349092 0.76 OXTR (0.87) OXTRAVPR1AMAPTALDH1A1KMT2A
SCHEMBL3366540 0.76 TP53 (0.56) OXTRAVPR1AMAPTALDH1A1CYP3A4
SCHEMBL3366825 0.76 OXTR (1.00) OXTRAVPR1AMAPTALDH1A1KMT2A
SCHEMBL3367773 0.76 OXTR (1.00) OXTRAVPR1AMAPTALDH1A1KMT2A

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-1335901-B1 PHARMACEUTICALLY ACTIVE SULFANILIDE DERIVATIVES MERCK SERONO SA (CH) 2010-04-14 EP claimed
US-7312358-B2 Pharmaceutically active sulfanilide derivatives LABORATOIRES SERONO SA (CH) 2007-12-25 US claimed
US-20040072816-A1 Pharmaceutically active sulfanilide derivatives MERCK SERONO SA (CH) 2004-04-15 US claimed
EP-1335901-A1 PHARMACEUTICALLY ACTIVE SULFANILIDE DERIVATIVES Applied Research Systems ARS Holding N.V. (AN) 2003-08-20 EP claimed
WO-2002032864-A1 PHARMACEUTICALLY ACTIVE SULFANILIDE DERIVATIVES APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2002-04-25 WO claimed
EP-1335901-B1 PHARMACEUTICALLY ACTIVE SULFANILIDE DERIVATIVES MERCK SERONO SA (CH) 2010-04-14 EP disclosed
US-7312358-B2 Pharmaceutically active sulfanilide derivatives LABORATOIRES SERONO SA (CH) 2007-12-25 US disclosed
US-7312358-B2 Pharmaceutically active sulfanilide derivatives LABORATOIRES SERONO SA (CH) 2007-12-25 US disclosed
US-7312358-B2 Pharmaceutically active sulfanilide derivatives LABORATOIRES SERONO SA (CH) 2007-12-25 US disclosed
US-20040072816-A1 Pharmaceutically active sulfanilide derivatives MERCK SERONO SA (CH) 2004-04-15 US disclosed
EP-1335901-A1 PHARMACEUTICALLY ACTIVE SULFANILIDE DERIVATIVES Applied Research Systems ARS Holding N.V. (AN) 2003-08-20 EP disclosed
WO-2002032864-A1 PHARMACEUTICALLY ACTIVE SULFANILIDE DERIVATIVES APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2002-04-25 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-20040072816-A1 Pharmaceutically active sulfanilide derivatives OXTR, AVPR2, OPRL1 OXTR 1/4885AVPR1A 4/4885MAPT 4842/4885

“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.