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SCHEMBL490345

SCHEMBL490345

CC1(C(=O)O)C(=O)c2sc(Br)cc2C1c1cccc(F)c1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RXFP1 Q9HBX9 1/20 0.34
▸ HTR7 P34969 2/20 0.34
▸ L3MBTL1 Q9Y468 2/20 0.34
▸ HPGD P15428 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ PKM P14618 2/20 0.32
▸ CYP2C19 P33261 2/20 0.32
▸ OPRK1 P41145 1/20 0.32
▸ POLB P06746 1/20 0.32
▸ HCAR2 Q8TDS4 1/20 0.32
▸ GFER P55789 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ CYP1A2 P05177 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ TDP1 Q9NUW8 1/20 0.31
▸ PLAU P00749 1/20 0.31
▸ PLAUR Q03405 1/20 0.31

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
SCHEMBL10169829 0.85 ALDH1A1 (0.37) RXFP1L3MBTL1PKMOPRK1ALDH1A1
SCHEMBL10169820 0.74 HTR7 (0.34) RXFP1HTR7L3MBTL1PKMOPRK1
SCHEMBL490263 0.74 HTR7 (0.34) RXFP1HTR7L3MBTL1PKMOPRK1
SCHEMBL10211128 0.74 HTR7 (0.34) RXFP1HTR7L3MBTL1PKMOPRK1
SCHEMBL490264 0.74 HTR7 (0.34) RXFP1HTR7L3MBTL1PKMOPRK1
SCHEMBL490408 0.67 HHAT (0.36) L3MBTL1HTTOPRK1ALDH1A1MEN1
SCHEMBL490340 0.67 ALDH1A1 (0.43) PKMCYP2C19ALDH1A1MEN1LMNA
SCHEMBL10169822 0.65 MEN1 (0.38) PKMALDH1A1MEN1LMNAKMT2A
SCHEMBL28196351 0.60 CACNA1B (0.35) HTR7HPGDHTTPKMHCAR2
SCHEMBL10169794 0.60 HHAT (0.33) ALDH1A1MEN1KMT2A

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 RXFP1 1485/4885HTR7 3492/4885L3MBTL1 2069/4885

“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.