SCHEMBL3368935

SCHEMBL3368935

CN(C)CCCNC(=O)CCc1ccc(S(=O)(=O)N(CC(=O)O)c2ccc(Cl)cc2)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OXTR P30559 2/20 0.63
AVPR1A P37288 2/20 0.63
AVPR2 P30518 1/20 0.63
AVPR1B P47901 1/20 0.63
PTGER1 P34995 2/20 0.50
MAPT P10636 1/20 0.48
TSHR P16473 1/20 0.48
ALDH1A1 P00352 1/20 0.48
RAB9A P51151 1/20 0.48
KEAP1 Q14145 2/20 0.47
NFE2L2 Q16236 2/20 0.47
PSEN1 P49768 1/20 0.47
PSEN2 P49810 1/20 0.47
APH1B Q8WW43 1/20 0.47
NCSTN Q92542 1/20 0.47
APH1A Q96BI3 1/20 0.47
PSENEN Q9NZ42 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.46
MCOLN3 Q8TDD5 1/20 0.46
HCRTR1 O43613 1/20 0.44

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
SCHEMBL3366973 0.90 OXTR (0.61) OXTRAVPR1AAVPR2AVPR1BPTGER1
SCHEMBL3365951 0.80 MAPT (0.63) OXTRAVPR1AAVPR2AVPR1BMAPT
SCHEMBL3366368 0.79 OXTR (0.57) OXTRAVPR1AAVPR2AVPR1BPTGER1
SCHEMBL3366380 0.79 OXTR (0.57) OXTRAVPR1AAVPR2AVPR1BPTGER1
SCHEMBL3365904 0.77 OXTR (0.59) OXTRAVPR1AKEAP1NFE2L2
SCHEMBL1630305 0.77 KEAP1 (0.71) OXTRMAPTKEAP1NFE2L2KMT2A
SCHEMBL1632092 0.73 KEAP1 (0.86) MAPTKEAP1NFE2L2KMT2A
SCHEMBL2703770 0.73 KEAP1 (0.54) OXTRALDH1A1RAB9AKEAP1NFE2L2
SCHEMBL1986412 0.72 GAA (0.57)
SCHEMBL1630563 0.71 KEAP1 (0.62) OXTRMAPTTSHRKEAP1NFE2L2

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
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-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 4/4885AVPR2 2/4885

“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.