SCHEMBL490410

SCHEMBL490410

CC(C)NC(=O)c1nnc(N)s1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 2/20 0.44
TSHR P16473 1/20 0.44
CASP1 P29466 1/20 0.44
HSD17B10 Q99714 3/20 0.42
HTT P42858 2/20 0.42
TP53 P04637 2/20 0.40
CHRM4 P08173 2/20 0.38
ALDH1A1 P00352 4/20 0.38
HPGD P15428 1/20 0.38
MAPK1 P28482 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
ALOX5 P09917 1/20 0.37
POLB P06746 1/20 0.36
GAA P10253 1/20 0.36
F2 P00734 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
KDM4E B2RXH2 1/20 0.34
GLS O94925 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
SCHEMBL952705 0.79 HSD17B10 (0.43) ALOX15TSHRCASP1HSD17B10HTT
SCHEMBL368639 0.75 HSD17B10 (0.50) ALOX15TSHRHSD17B10HTTTP53
SCHEMBL12536873 0.74 ALDH1A1 (0.44) ALOX15HSD17B10HTTTP53ALDH1A1
SCHEMBL950147 0.74 HSD17B10 (0.42) ALOX15TSHRHSD17B10HTTTP53
SCHEMBL11378254 0.74 ALOX15 (0.44) ALOX15TSHRCASP1HTTTP53
SCHEMBL3910072 0.73
SCHEMBL25407162 0.73 ALOX15 (0.46) ALOX15TSHRCASP1TP53CHRM4
SCHEMBL11380178 0.73 ALOX15 (0.40) ALOX15TSHRCASP1HTTTP53
SCHEMBL11389141 0.73 ALOX15 (0.43) ALOX15TSHRCASP1HTTTP53
SCHEMBL8162701 0.71 HSD17B10 (0.40) ALOX15HSD17B10HTTTP53ALDH1A1

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 ALOX15 727/4885TSHR 795/4885CASP1 331/4885

“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.