SCHEMBL490342

SCHEMBL490342

CC1(C(=O)O)Cc2sccc2C1c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HHAT Q5VTY9 4/20 0.46
LHCGR P22888 2/20 0.36
NR3C1 P04150 5/20 0.36
PGR P06401 2/20 0.36
AR P10275 2/20 0.36
DRD1 P21728 1/20 0.36
ESR1 P03372 1/20 0.36
KMT2A Q03164 1/20 0.35

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
SCHEMBL10169781 1.00 HHAT (0.46) HHATLHCGRNR3C1PGRAR
SCHEMBL490365 1.00 HHAT (0.46) HHATLHCGRNR3C1PGRAR
SCHEMBL10169784 0.83 SMN1; SMN2 (0.43) HHAT
SCHEMBL490748 0.79 HHAT (0.33) HHATKMT2A
SCHEMBL10169794 0.79 HHAT (0.33) HHATKMT2A
SCHEMBL10169803 0.78 NR3C1 (0.59) NR3C1PGRARESR1KMT2A
SCHEMBL490408 0.70 HHAT (0.36) HHATNR3C1PGRARESR1
SCHEMBL490263 0.68 HTR7 (0.34) LHCGR
SCHEMBL10169820 0.68 HTR7 (0.34) LHCGR
SCHEMBL10211128 0.68 HTR7 (0.34) LHCGR

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 HHAT 1972/4885LHCGR 2000/4885NR3C1 5/4885

“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.