SCHEMBL3366520

SCHEMBL3366520

O=C(O)C1c2ccccc2CN1C(=O)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.54

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ACE P12821 9/20 0.54
FABP5 Q01469 3/20 0.47
FABP7 O15540 2/20 0.47
KMT2A Q03164 2/20 0.42
DPP8 Q6V1X1 1/20 0.40
DPP9 Q86TI2 1/20 0.40
EPHX2 P34913 1/20 0.40
TSHR P16473 1/20 0.38

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
SCHEMBL21899390 1.00 ACE (0.54) ACEFABP5FABP7KMT2ADPP8
SCHEMBL30951904 1.00 ACE (0.54) ACEFABP5FABP7KMT2ADPP8
SCHEMBL8294724 0.89 KMT2A (0.44) ACEFABP5FABP7KMT2ADPP8
SCHEMBL13259983 0.89 ACE (0.43) ACEFABP5FABP7KMT2ADPP8
SCHEMBL3040971 0.88 ACE (0.56) ACEFABP5FABP7
SCHEMBL16465859 0.88 ACE (0.56) ACEFABP5FABP7
SCHEMBL800088 0.88 ACE (0.56) ACEFABP5FABP7
SCHEMBL6945507 0.85 HSP90AA1 (0.49) ACEFABP5FABP7KMT2ADPP8
SCHEMBL18961434 0.84 RORC (0.44) ACEFABP5FABP7
SCHEMBL18939840 0.83 RORC (0.42) ACEFABP5FABP7

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 7 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
US-6596732-B2 Their solvates and/or hydrates exhibiting an affinity and a selectivity for arginine-vasopressin V1b receptors or for both V1b and V1a receptors. hormone known for its antidiuretic effect and its effect in regulating arterial pressure. SANOFI-SYNTHELABO (FR) 2003-07-22 US disclosed
US-20030109545-A1 Novel 1,3-dihydro-2h-indol-2-one, preparation method and pharmaceutical compositions containing same SANOFI-AVENTIS (FR) 2003-06-12 US 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 (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-20030109545-A1 Novel 1,3-dihydro-2h-indol-2-one, preparation method and pharmaceutical compositions containing same AVPR2, AVPR1B, AVPR1A ACE 1114/4885FABP5 1628/4885FABP7 605/4885
US-20040072816-A1 Pharmaceutically active sulfanilide derivatives OXTR, AVPR2, OPRL1 ACE 1265/4885FABP5 3931/4885FABP7 3866/4885

“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.