SCHEMBL490432

SCHEMBL490432

CC1(C(=O)O)Cc2sc(-c3ccc(C(=O)N4CCOCC4)cc3)cc2C1c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 6/20 0.43
TSHR P16473 1/20 0.41
ALDH1A1 P00352 3/20 0.40
HTT P42858 2/20 0.40
TP53 P04637 1/20 0.40
KMT2A Q03164 2/20 0.39
CNR1 P21554 1/20 0.39
MEN1 O00255 1/20 0.39
RAB9A P51151 1/20 0.39
MAPK13 O15264 1/20 0.39
MAPK12 P53778 1/20 0.39
MAPK11 Q15759 1/20 0.39
MAPK14 Q16539 1/20 0.39
EIF4E P06730 1/20 0.38
MKNK1 Q9BUB5 1/20 0.38
MKNK2 Q9HBH9 1/20 0.38
APC P25054 3/20 0.38
AOC3 Q16853 1/20 0.38
NPC1 O15118 1/20 0.38
LMNA P02545 1/20 0.38

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
SCHEMBL10169814 1.00 HPGD (0.43) HPGDTSHRALDH1A1HTTTP53
SCHEMBL490433 1.00 HPGD (0.43) HPGDTSHRALDH1A1HTTTP53
SCHEMBL10169821 0.92 RIPK1 (0.41) HPGDALDH1A1HTTTP53MAPK13
SCHEMBL490240 0.92 RIPK1 (0.41) HPGDALDH1A1HTTTP53MAPK13
SCHEMBL490241 0.92 RIPK1 (0.41) HPGDALDH1A1HTTTP53MAPK13
SCHEMBL13575451 0.80 MAPK13 (0.36) HPGDALDH1A1HTTTP53KMT2A
SCHEMBL10211129 0.77 MAPK13 (0.36) HPGDALDH1A1HTTTP53MAPK13
SCHEMBL490249 0.77 NR3C1 (0.46) HPGDALDH1A1KMT2AMEN1MAPK13
SCHEMBL10169828 0.77 NR3C1 (0.46) HPGDALDH1A1KMT2AMEN1MAPK13
SCHEMBL10169812 0.72 NR3C1 (0.42) HPGDALDH1A1KMT2ARAB9ANPC1

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 2 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-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 HPGD 2413/4885TSHR 795/4885ALDH1A1 2550/4885

“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.