SCHEMBL5041234

SCHEMBL5041234

O=C(CBr)c1ccc(NS(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 4/20 0.70
HDAC8 Q9BY41 4/20 0.70
HDAC3 O15379 3/20 0.70
HDAC4 P56524 3/20 0.70
HDAC7 Q8WUI4 3/20 0.70
HDAC2 Q92769 3/20 0.70
HDAC10 Q969S8 3/20 0.70
HDAC11 Q96DB2 3/20 0.70
HDAC6 Q9UBN7 3/20 0.70
HDAC9 Q9UKV0 3/20 0.70
HDAC5 Q9UQL6 3/20 0.70
KMT2A Q03164 2/20 0.60
MEN1 O00255 1/20 0.54
CYP1A2 P05177 1/20 0.54
CYP3A4 P08684 1/20 0.54
CYP2D6 P10635 1/20 0.54
CYP2C9 P11712 1/20 0.54
CYP2C19 P33261 1/20 0.54
HTT P42858 1/20 0.54
MAPT P10636 3/20 0.53

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
SCHEMBL4817750 0.86 HDAC1 (0.70) HDAC1HDAC8HDAC3HDAC4HDAC7
SCHEMBL14408138 0.85 HDAC1 (0.80) HDAC1HDAC8HDAC3HDAC4HDAC7
SCHEMBL8274861 0.82 HDAC3 (1.00) HDAC1HDAC8HDAC3HDAC4HDAC7
SCHEMBL8276342 0.80 HDAC1 (0.70) HDAC1HDAC8HDAC3HDAC4HDAC7
SCHEMBL7406463 0.79 HDAC3 (0.69) HDAC1HDAC8HDAC3HDAC4HDAC7
SCHEMBL27214027 0.79 CA12 (0.65) HDAC1HDAC8HDAC3HDAC4HDAC7
SCHEMBL14408119 0.78 HDAC3 (0.59) HDAC1HDAC8HDAC3HDAC4HDAC7
SCHEMBL7580420 0.78 MAPT (0.62) HDAC1HDAC8HDAC3HDAC4HDAC7
SCHEMBL7571166 0.78 MAPT (0.80) HDAC1HDAC8HDAC3HDAC4HDAC7
SCHEMBL10361762 0.77 MAPT (0.65) HDAC1HDAC8HDAC3HDAC4HDAC7

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-1633354-B1 N-(((((1,3-THIAZOL-2-YL)AMINO)CARBONYL)PHENYL)SULFONYL)PHENYLALANINE DERIVATIVES AND RELATED COMPOUNDS FOR THE TREATMENT OF DIABETES INST FOR PHARM DISCOVERY INC (US) 2008-01-23 EP disclosed
EP-1805136-A1 SUBSTITUTED PHENYLALKANOIC ACIDS The Institutes for Pharmaceutical Discovery, LLC (US) 2007-07-11 EP disclosed
WO-2006050097-A1 SUBSTITUTED PHENYLALKANOIC ACIDS THE INSTITUTES FOR PHARMACEUTICAL DISCOVERY, LLC (US) 2006-05-11 WO disclosed
US-20060100251-A1 Substituted phenylalkanoic acids THE INSTITUTES FOR PHARMACEUTICAL DISCOVERY, LLC 2006-05-11 US disclosed
US-20040248937-A1 Substituted phenylalkanoic acids for the treatment of diabetes THE INSTITUTE FOR PHARMACEUTICAL DISCOVERY LLC 2004-12-09 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 (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-20040248937-A1 Substituted phenylalkanoic acids for the treatment of diabetes PTP4A1, PTPRJ, PPM1B HDAC1 3047/4885HDAC8 4323/4885HDAC3 2966/4885
US-20060100251-A1 Substituted phenylalkanoic acids PTPRJ, PTP4A1, PTPN1 HDAC1 3343/4885HDAC8 4251/4885HDAC3 2986/4885

“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.