SCHEMBL6738215

SCHEMBL6738215

CSc1ccc(C(=O)CBr)cc1Cl

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 10/20 0.50
PTPN1 P18031 6/20 0.45
HDAC3 O15379 4/20 0.43
HDAC4 P56524 4/20 0.43
HDAC1 Q13547 4/20 0.43
HDAC7 Q8WUI4 4/20 0.43
HDAC2 Q92769 4/20 0.43
HDAC10 Q969S8 4/20 0.43
HDAC11 Q96DB2 4/20 0.43
HDAC8 Q9BY41 4/20 0.43
HDAC6 Q9UBN7 4/20 0.43
HDAC9 Q9UKV0 4/20 0.43
HDAC5 Q9UQL6 4/20 0.43

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
SCHEMBL11808909 0.81 GSK3B (0.52) GSK3BPTPN1
SCHEMBL29966893 0.80 PTPN1 (0.50) GSK3BPTPN1
SCHEMBL6113125 0.80 PTPN1 (0.50) GSK3BPTPN1
SCHEMBL4131936 0.79 ALDH1A1 (0.42) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL7004593 0.78 L3MBTL1 (0.55)
SCHEMBL747174 0.78 GSK3B (0.61) GSK3BPTPN1HDAC3HDAC4HDAC1
SCHEMBL29514695 0.78 GSK3B (0.61) GSK3BPTPN1HDAC3HDAC4HDAC1
SCHEMBL9548058 0.78 GSK3B (0.52) GSK3BPTPN1
SCHEMBL10651588 0.78 PTPN1 (0.48) GSK3BPTPN1
SCHEMBL11816877 0.78 GSK3B (0.51) GSK3BPTPN1HDAC3HDAC4HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6686390-B2 DIHYDROFURANONYL- OR DIHYDROPYRROLINONYL-PHENYL COMPOUNDS CONTAINING SUBSTITUTED THIO, SULFOXIDE OR SULFONYL GROUPS DR. REDDY'S LABORATORIES LIMITED (IN) 2004-02-03 US disclosed
US-20020032230-A1 Novel compounds having antiinflamatory activity: process for their preparation and pharmaceutical compositions containing them DR. REDDY'S LABORATORIES LTD. 2002-03-14 US disclosed
WO-2001090097-A2 NOVEL COMPOUNDS HAVING ANTIINFLAMMATORY ACTIVITY: PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM DR. REDDY'S RESEARCH FOUNDATION (IN) 2001-11-29 WO disclosed
US-3954871-A ANTIARRHYTHMIA, VASODILATOR, HYPOTENSIVE CONTINENTAL PHARMA (BE) 1976-05-04 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 (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-20020032230-A1 Novel compounds having antiinflamatory activity: process for their preparation and pharmaceutical compositions containing them H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, TPSAB1, ACE GSK3B 1743/4885PTPN1 3686/4885HDAC3 670/4885

“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.