SCHEMBL10169812

SCHEMBL10169812

C[C@]1(C(=O)Nc2nncs2)Cc2sc(-c3ccc(C(=O)N4CC[C@@H](F)C4)cc3)cc2[C@H]1c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 8/20 0.42
PGR P06401 2/20 0.41
AR P10275 1/20 0.41
NAMPT P43490 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C8 P10632 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
ALDH1A1 P00352 2/20 0.35
HSD17B10 Q99714 1/20 0.35
HDAC3 O15379 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC2 Q92769 1/20 0.35
WNT1 P04628 1/20 0.34
GSK3B P49841 1/20 0.34
DYRK1A Q13627 1/20 0.34
PSMB11 A5LHX3 1/20 0.34
PSMA7 O14818 1/20 0.34
PSMB1 P20618 1/20 0.34
PSMA1 P25786 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
SCHEMBL490249 0.84 NR3C1 (0.46) NR3C1PGRARCYP3A4CYP2C8
SCHEMBL10212205 0.84 NR3C1 (0.36) NR3C1PGRARNAMPTCYP3A4
SCHEMBL490250 0.84 NR3C1 (0.46) NR3C1PGRARCYP3A4CYP2C8
SCHEMBL10169828 0.84 NR3C1 (0.46) NR3C1PGRARCYP3A4CYP2C8
SCHEMBL10169802 0.81 NR3C1 (0.45) NR3C1PGRARSMN1; SMN2POLB
SCHEMBL490413 0.78 NR3C1 (0.55) NR3C1PGRARCYP3A4CYP2C9
SCHEMBL10169803 0.74 NR3C1 (0.59) NR3C1PGRARCYP3A4CYP2C9
SCHEMBL490433 0.72 HPGD (0.43) ALDH1A1NPC1RAB9AHPGDSMN1; SMN2
SCHEMBL10169814 0.72 HPGD (0.43) ALDH1A1NPC1RAB9AHPGDSMN1; SMN2
SCHEMBL13600419 0.71 NR3C1 (0.54) NR3C1PGRARCYP3A4CYP2C9

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 NR3C1 5/4885PGR 745/4885AR 179/4885

“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.