SCHEMBL490218

SCHEMBL490218

CCOC(=O)C(=Cc1cccc(F)c1)C(=O)c1ccc(Br)s1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.53
LMNA P02545 6/20 0.50
NPSR1 Q6W5P4 5/20 0.50
MEN1 O00255 5/20 0.50
KMT2A Q03164 5/20 0.50
CYP1A2 P05177 2/20 0.50
CYP2C19 P33261 2/20 0.50
CYP2C9 P11712 1/20 0.50
S1PR4 O95977 1/20 0.47
S1PR1 P21453 1/20 0.47
MAPK1 P28482 1/20 0.47
GPR55 Q9Y2T6 2/20 0.47
NFKB1 P19838 1/20 0.47
NFKB2 Q00653 1/20 0.47
RELA Q04206 1/20 0.47
GLO1 Q04760 2/20 0.43
PTGS2 P35354 1/20 0.43
RAB9A P51151 2/20 0.42
ALDH1A1 P00352 1/20 0.42
HSP90AA1 P07900 1/20 0.42

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
SCHEMBL490217 1.00 MAPT (0.53) MAPTLMNANPSR1MEN1KMT2A
SCHEMBL490451 0.86 KMT2A (0.65) MAPTLMNANPSR1MEN1KMT2A
SCHEMBL490449 0.86 KMT2A (0.65) MAPTLMNANPSR1MEN1KMT2A
SCHEMBL16285261 0.79 GLO1 (0.65) MAPTLMNANPSR1MEN1KMT2A
SCHEMBL1164276 0.74 CES2 (0.60) MAPTLMNANPSR1MEN1KMT2A
SCHEMBL1676321 0.73 MAPT (0.67) MAPTLMNANPSR1MEN1KMT2A
SCHEMBL10772299 0.73 KMT2A (0.70) MAPTLMNANPSR1MEN1KMT2A
SCHEMBL4281750 0.71 MAPT (0.60) MAPTLMNANPSR1MEN1KMT2A
SCHEMBL4281748 0.71 MAPT (0.60) MAPTLMNANPSR1MEN1KMT2A
SCHEMBL11812896 0.70 KMT2A (0.70) MAPTLMNANPSR1MEN1KMT2A

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 MAPT 2104/4885LMNA 4657/4885NPSR1 1253/4885

“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.