SCHEMBL1857604

SCHEMBL1857604

O=C(O)C(=O)N(Cc1cccc(Cl)c1)Cc1ccc(S(=O)(=O)NCCC(c2ccccc2)c2ccccc2)s1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASR P41180 1/20 0.40
LMNA P02545 3/20 0.38
AKR1C3 P42330 1/20 0.38
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
POLB P06746 2/20 0.37
USP2 O75604 1/20 0.37
APEX1 P27695 1/20 0.37
RECQL P46063 1/20 0.37
TAS2R14 Q9NYV8 1/20 0.37
PTGES O14684 1/20 0.36
ALDH1A1 P00352 2/20 0.36
ALPL P05186 1/20 0.36
ALPI P09923 1/20 0.36
MAPT P10636 1/20 0.36
ALPG P10696 1/20 0.36
ALOX12 P18054 1/20 0.36
HTT P42858 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL25737609 0.95 CNR1 (0.37) CASRLMNAAKR1C3MEN1KMT2A
SCHEMBL23895473 0.90 POLB (0.42) LMNAMEN1KMT2APOLBUSP2
SCHEMBL4020745 0.87 SMN1; SMN2 (0.48) LMNAAKR1C3KMT2AALDH1A1MAPT
SCHEMBL1852104 0.85 KMT2A (0.50) LMNAAKR1C3MEN1KMT2AALDH1A1
SCHEMBL4018016 0.84 PTGES (0.37) LMNAMEN1KMT2ARECQLPTGES
SCHEMBL4714345 0.84 LMNA (0.43) CASRLMNAAKR1C3MEN1KMT2A
SCHEMBL1854510 0.83 LPAR1 (0.45) AKR1C3
SCHEMBL5047519 0.82 CASR (0.39) CASRLMNAAKR1C3MEN1KMT2A
SCHEMBL4021417 0.80 LIMK2 (0.39) LMNAMEN1KMT2APOLBTAS2R14
SCHEMBL4021244 0.80 HDAC4 (0.45) ALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090018169-A1 Sulfonamide Derivatives for the Treatment of Bacterial Infections LABORATOIRES SERONO SA (CH) 2009-01-15 US claimed
EP-1732534-B1 USE OF METHYLENE AMIDE DERIVATIVES IN CARDIOVASCULAR DISORDERS SERONO LAB (CH) 2008-07-23 EP claimed
US-20070185118-A1 Use of methylene amide derivatives in cardiovascular disorders APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (NL) 2007-08-09 US claimed
US-20050124656-A1 Substituted methylene amide derivatives as modulators of protein tyrosine phosphatases(ptps) APPLIED RESEARCH SYSTEMS ARS (NL) 2005-06-09 US claimed
EP-1470102-A1 SUBSTITUTED METHYLENE AMIDE DERIVATIVES AS MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPS) Applied Research Systems ARS Holding N.V. (AN) 2004-10-27 EP claimed
WO-2003064376-A1 SUBSTITUTED METHYLENE AMIDE DERIVATIVES AS MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPS) APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2003-08-07 WO claimed
EP-1470102-B1 SUBSTITUTED METHYLENE AMIDE DERIVATIVES AS MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPS) MERCK SERONO SA (CH) 2011-05-25 EP disclosed
US-7592477-B2 Substituted methylene amide derivatives as modulators of protein tyrosine phosphatases (PTPs) LABORATOIRES SERONO SA (CH) 2009-09-22 US disclosed
US-20090018169-A1 Sulfonamide Derivatives for the Treatment of Bacterial Infections LABORATOIRES SERONO SA (CH) 2009-01-15 US disclosed
US-20090018169-A1 Sulfonamide Derivatives for the Treatment of Bacterial Infections LABORATOIRES SERONO SA (CH) 2009-01-15 US disclosed
US-20090018169-A1 Sulfonamide Derivatives for the Treatment of Bacterial Infections LABORATOIRES SERONO SA (CH) 2009-01-15 US disclosed
US-20070185118-A1 Use of methylene amide derivatives in cardiovascular disorders APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (NL) 2007-08-09 US disclosed
US-20050124656-A1 Substituted methylene amide derivatives as modulators of protein tyrosine phosphatases(ptps) APPLIED RESEARCH SYSTEMS ARS (NL) 2005-06-09 US 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 (3 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-20090018169-A1 Sulfonamide Derivatives for the Treatment of Bacterial Infections STS, TST, SULT1A1 CASR 3294/4885LMNA 2619/4885AKR1C3 1496/4885
US-20070185118-A1 Use of methylene amide derivatives in cardiovascular disorders TNNI3, TNNT2, ADM2 CASR 4367/4885LMNA 2207/4885AKR1C3 1571/4885
US-20050124656-A1 Substituted methylene amide derivatives as modulators of protein tyrosine phosphatases(ptps) PTPRS, PTPA, PTPMT1 CASR 2622/4885LMNA 4700/4885AKR1C3 2134/4885

“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.