SCHEMBL15096331

SCHEMBL15096331

CC(=O)SCc1ccc(Oc2cccc(C)c2)c(C#N)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 7/20 0.49
FNTA P49354 1/20 0.42
FNTB P49356 1/20 0.42
PGGT1B P53609 1/20 0.42
TBXA2R P21731 3/20 0.41
CRHR1 P34998 1/20 0.40
LMNA P02545 1/20 0.40
IMPDH2 P12268 1/20 0.39
ALDH1A1 P00352 2/20 0.39
PLA2G7 Q13093 1/20 0.39
KDM4E B2RXH2 1/20 0.39
USP2 O75604 1/20 0.39
TP53 P04637 1/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39
TSHR P16473 1/20 0.39
MAPK1 P28482 1/20 0.39
HTT P42858 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
HSD17B10 Q99714 1/20 0.39

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
SCHEMBL875360 0.84 CYP1A2 (0.50) ARFNTAFNTBPGGT1BPLA2G7
SCHEMBL9889481 0.83 AR (0.56) ARFNTAFNTBPGGT1BTBXA2R
SCHEMBL15096366 0.81 AR (0.53) ARTBXA2RALDH1A1SMN1; SMN2
SCHEMBL9889482 0.80 AR (0.56) ARFNTAFNTBPGGT1BTBXA2R
SCHEMBL15096332 0.80 AR (0.56) ARFNTAFNTBPGGT1BTBXA2R
SCHEMBL15096334 0.77 AR (0.54) ARTBXA2RLMNAIMPDH2ALDH1A1
SCHEMBL9889635 0.73 BRD4 (0.42) ARFNTAFNTBPGGT1BALDH1A1
SCHEMBL9889636 0.73 PLA2G7 (0.39) ARFNTAFNTBPGGT1BALDH1A1
SCHEMBL9889480 0.73 AR (0.56) ARTBXA2RALDH1A1TSHRSMN1; SMN2
SCHEMBL30426714 0.72 AR (0.66) ARCRHR1LMNAALDH1A1MAPT

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140378487-A1 TRICYCLIC COMPOUNDS, PREPARATION METHODS, AND THEIR USES GLAXO GROUP LTD (GB) 2014-12-25 US disclosed
US-8871928-B2 Tricyclic compounds, preparation methods, and their uses GLAXO GROUP LIMITED (GB) 2014-10-28 US disclosed
US-20130178488-A1 TRICYCLIC COMPOUNDS, PREPARATION METHODS, AND THEIR USES GLAXO GROUP LIMITED (GB) 2013-07-11 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 (2 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-20140378487-A1 TRICYCLIC COMPOUNDS, PREPARATION METHODS, AND THEIR USES LIPG, PCSK9, ENPP2 AR 3517/4885FNTA 1087/4885FNTB 3311/4885
US-20130178488-A1 TRICYCLIC COMPOUNDS, PREPARATION METHODS, AND THEIR USES LIPG, PCSK9, ENPP2 AR 3517/4885FNTA 1087/4885FNTB 3311/4885

“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.