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SCHEMBL490340

SCHEMBL490340

CCOC(=O)C1C(=O)c2sc(Br)cc2C1c1cccc(F)c1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.43
▸ TSHR P16473 2/20 0.38
▸ BCHE P06276 1/20 0.37
▸ PKM P14618 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ CYP2D6 P10635 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ TDP1 Q9NUW8 2/20 0.35
▸ TRPM8 Q7Z2W7 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ ALOX15 P16050 1/20 0.35
▸ P2RX3 P56373 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ GLA P06280 1/20 0.35
▸ RECQL P46063 1/20 0.35
▸ PDE4B Q07343 1/20 0.35
▸ PDE4D Q08499 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
SCHEMBL490701 0.88 MEN1 (0.44) ALDH1A1TSHRMEN1CYP1A2CYP2D6
SCHEMBL10169829 0.75 ALDH1A1 (0.37) ALDH1A1TSHRPKMMEN1KMT2A
SCHEMBL490807 0.69 MEN1 (0.46) ALDH1A1TSHRMEN1CYP1A2CYP2D6
SCHEMBL10169822 0.69 MEN1 (0.38) ALDH1A1TSHRBCHEPKMMEN1
SCHEMBL10211127 0.69 ALDH1A1 (0.40) ALDH1A1TSHRBCHEPKMMEN1
SCHEMBL11973500 0.68 ALDH1A1 (0.42) ALDH1A1MEN1KMT2ALMNAGLA
SCHEMBL3584871 0.67 MEN1 (0.46) ALDH1A1TSHRMEN1CYP1A2CYP2D6
SCHEMBL490345 0.67 RXFP1 (0.34) ALDH1A1PKMMEN1CYP1A2CYP2C19
SCHEMBL4140870 0.66 ALDH1A1 (0.47) ALDH1A1PKMTDP1LMNA
SCHEMBL14549989 0.66 ALDH1A1 (0.47) ALDH1A1PKMTDP1LMNA

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 6 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
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
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 ALDH1A1 2550/4885TSHR 795/4885BCHE 4470/4885

“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.