SCHEMBL10169822

SCHEMBL10169822

CCOC(=O)[C@@]1(C)Cc2sc(Br)cc2[C@H]1c1cccc(F)c1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
ACHE P22303 3/20 0.37
ALDH1A1 P00352 4/20 0.36
PKM P14618 1/20 0.35
TSHR P16473 1/20 0.35
KDM1A O60341 1/20 0.35
RCOR1 Q9UKL0 1/20 0.35
LMNA P02545 1/20 0.35
TDP1 Q9NUW8 1/20 0.34
TRPM8 Q7Z2W7 1/20 0.34
CACNA1B Q00975 1/20 0.34
BCHE P06276 1/20 0.34
PDE4B Q07343 1/20 0.34
PDE4D Q08499 1/20 0.34

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
SCHEMBL10169797 0.88 SMN1; SMN2 (0.38) MEN1KMT2AALDH1A1TSHRTDP1
SCHEMBL490264 0.85 HTR7 (0.34) PKMKDM1ARCOR1
SCHEMBL10169820 0.85 HTR7 (0.34) PKMKDM1ARCOR1
SCHEMBL10211128 0.85 HTR7 (0.34) PKMKDM1ARCOR1
SCHEMBL490263 0.85 HTR7 (0.34) PKMKDM1ARCOR1
SCHEMBL10169829 0.78 ALDH1A1 (0.37) MEN1KMT2AACHEALDH1A1PKM
SCHEMBL10169784 0.71 SMN1; SMN2 (0.43) ALDH1A1TSHR
SCHEMBL490340 0.69 ALDH1A1 (0.43) MEN1KMT2AALDH1A1PKMTSHR
SCHEMBL490345 0.65 RXFP1 (0.34) MEN1KMT2AALDH1A1PKMLMNA
SCHEMBL13575467 0.65 BRD4 (0.45) MEN1KMT2AALDH1A1

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
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-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

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 MEN1 3707/4885KMT2A 3972/4885ACHE 4473/4885

“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.