SCHEMBL490263

SCHEMBL490263

CC1(C(=O)O)Cc2sc(Br)cc2C1c1cccc(F)c1

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 1/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
KDM1A O60341 1/20 0.34
RCOR1 Q9UKL0 1/20 0.34
GFER P55789 1/20 0.34
RIPK1 Q13546 2/20 0.33
CCR2 P41597 1/20 0.33
LHCGR P22888 1/20 0.32
PKM P14618 1/20 0.32
OPRK1 P41145 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32
NPC1 O15118 1/20 0.32

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
SCHEMBL490264 1.00 HTR7 (0.34) HTR7L3MBTL1KDM1ARCOR1GFER
SCHEMBL10169820 1.00 HTR7 (0.34) HTR7L3MBTL1KDM1ARCOR1GFER
SCHEMBL10211128 1.00 HTR7 (0.34) HTR7L3MBTL1KDM1ARCOR1GFER
SCHEMBL10169794 0.88 HHAT (0.33)
SCHEMBL490748 0.88 HHAT (0.33)
SCHEMBL10169822 0.85 MEN1 (0.38) KDM1ARCOR1PKM
SCHEMBL490241 0.75 RIPK1 (0.41) RIPK1
SCHEMBL10169821 0.75 RIPK1 (0.41) RIPK1
SCHEMBL490240 0.75 RIPK1 (0.41) RIPK1
SCHEMBL490345 0.74 RXFP1 (0.34) HTR7L3MBTL1GFERPKMOPRK1

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-8106046-B2 Cyclopentathiophene modulators of the glucocorticoid receptor, AP-1, and/or NF-κB activity and use thereof BRISTOL-MYERS SQUIBB COMPANY (US) 2012-01-31 US disclosed
EP-2334671-A1 CYCLOPENTATHIOPHENE MODULATORS OF THE GLUCOCORTICOID RECEPTOR, AP-1, AND/OR NF-KAPPA B ACTIVITY AND USE THEREOF Bristol-Myers Squibb Company (US) 2011-06-22 EP disclosed
US-20110105495-A1 CYCLOPENTATHIOPHENE MODULATORS OF THE GLUCOCORTICOID RECEPTOR, AP-1, AND/OR NF-kB ACTIVITY AND USE THEREOF BRISTOL-MYERS SQUIBB COMPANY 2011-05-05 US disclosed
WO-2009158380-A1 CYCLOPENTATHIOPHENE MODULATORS OF THE GLUCOCORTICOID RECEPTOR, AP-1, AND/OR NF-KAPPA B ACTIVITY AND USE THEREOF BRISTOL-MYERS SQUIBB COMPANY (US) 2009-12-30 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-20110105495-A1 CYCLOPENTATHIOPHENE MODULATORS OF THE GLUCOCORTICOID RECEPTOR, AP-1, AND/OR NF-kB ACTIVITY AND USE THEREOF NFKB2, NFKB1, NFRKB HTR7 3492/4885L3MBTL1 2069/4885KDM1A 3381/4885

“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.