SCHEMBL6539864

SCHEMBL6539864

COc1ccc(-c2nc(CSc3ccccn3)oc2-c2ccc(O)cc2)cn1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 6/20 0.41
HSD17B3 P37058 2/20 0.37
HSD17B1 P14061 1/20 0.37
HSD17B2 P37059 1/20 0.37
ALDH1A1 P00352 1/20 0.35
RXRA P19793 4/20 0.35
RXRB P28702 4/20 0.35
KDM4E B2RXH2 1/20 0.34
ABCC4 O15439 1/20 0.34
C5 P01031 1/20 0.34
LMNA P02545 1/20 0.34
CHRM2 P08172 1/20 0.34
CYP3A4 P08684 1/20 0.34
CHRM1 P11229 1/20 0.34
DRD2 P14416 1/20 0.34
HPGD P15428 1/20 0.34
TSHR P16473 1/20 0.34
TBXA2R P21731 1/20 0.34
NR4A1 P22736 1/20 0.34
PTGS1 P23219 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
SCHEMBL6538787 0.89 PPARD (0.41) PPARDALDH1A1RXRARXRBHPGD
SCHEMBL6538999 0.88 PPARD (0.43) PPARDALDH1A1KDM4ELMNACYP3A4
SCHEMBL6539671 0.87 PPARD (0.45) PPARDALDH1A1RXRARXRBKDM4E
SCHEMBL6538838 0.86 PPARD (0.38) PPARDRXRARXRBHPGDRAB9A
SCHEMBL6539044 0.84 PPARD (0.44) PPARDHSD17B3HSD17B1HSD17B2MAPK1
SCHEMBL6539800 0.83 PPARD (0.43) PPARDALDH1A1RXRARXRBKDM4E
SCHEMBL6539926 0.82 PPARD (0.40) PPARDALDH1A1RXRARXRBKDM4E
SCHEMBL6539770 0.82 PPARD (0.38) PPARDALDH1A1HPGDNR4A2RAB9A
SCHEMBL6539790 0.81 PPARD (0.37) PPARDALDH1A1NR4A2RAB9A
SCHEMBL6539465 0.80 PPARD (0.41) PPARDRXRARXRBKDM4EABCC4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040157891-A1 Inhibitor of cox FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-08-12 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-20040157891-A1 Inhibitor of cox PTGS1, PTGS2, PTGES2 PPARD 1747/4885HSD17B3 238/4885HSD17B1 142/4885

“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.