SCHEMBL4909137

SCHEMBL4909137

CCOC(=O)c1sc2nc(SC)nc(-c3ccc(F)c(C)c3)c2c1N

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LHCGR P22888 7/20 0.54
KDM4E B2RXH2 9/20 0.53
HPGD P15428 7/20 0.53
MAPT P10636 6/20 0.53
ALDH1A1 P00352 6/20 0.53
GAA P10253 5/20 0.53
GLA P06280 3/20 0.53
HSD17B10 Q99714 2/20 0.53
ATM Q13315 2/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
CASP1 P29466 1/20 0.53
CASP7 P55210 1/20 0.53
LMNA P02545 1/20 0.50
L3MBTL1 Q9Y468 2/20 0.49
MAPK1 P28482 2/20 0.49
TSHR P16473 3/20 0.49
RCE1 Q9Y256 1/20 0.46
NPC1 O15118 3/20 0.44
RAB9A P51151 3/20 0.44
POLB P06746 1/20 0.44

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
SCHEMBL4908873 0.87 LHCGR (0.55) LHCGRKDM4EMAPTALDH1A1TSHR
SCHEMBL6216798 0.86 LHCGR (0.52) LHCGRKDM4EHPGDMAPTALDH1A1
SCHEMBL5136975 0.86 LHCGR (0.51) LHCGRKDM4EHPGDMAPTALDH1A1
SCHEMBL4907427 0.86 BRAF (0.55) LHCGRKDM4EHPGDMAPTALDH1A1
SCHEMBL4905960 0.85 LHCGR (0.61) LHCGRKDM4EMAPTGAAATM
SCHEMBL2131332 0.85 LHCGR (0.61) LHCGRKDM4EHPGDMAPTALDH1A1
SCHEMBL4431522 0.85 LHCGR (0.62) LHCGRKDM4EHPGDMAPTALDH1A1
SCHEMBL6214494 0.84 LHCGR (0.59) LHCGRKDM4EHPGDMAPTALDH1A1
SCHEMBL6216192 0.84 ALDH1A1 (0.62) LHCGRKDM4EHPGDMAPTALDH1A1
SCHEMBL6217590 0.83 LHCGR (0.53) LHCGRKDM4EHPGDMAPTALDH1A1

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
EP-1984377-A2 INHIBITORS OF TNF ALPHA , PDE4 AND B-RAF, COMPOSITIONS THEREOF AND METHODS OF USE THEREWITH Signal Pharmaceuticals LLC (US) 2008-10-29 EP disclosed
US-20080004271-A1 Inhibitors of TNFalpha, PDE4 and B-RAF, compositions thereof and methods of use therewith MCKENNA JEFFREY M 2008-01-03 US disclosed
WO-2007084560-A2 INHIBITORS OF TNFα, PDE4 AND B-RAF, COMPOSITIONS THEREOF AND METHODS OF USE THEREWITH SIGNAL PHARMACEUTICALS, LLC (US) 2007-07-26 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-20080004271-A1 Inhibitors of TNFalpha, PDE4 and B-RAF, compositions thereof and methods of use therewith PDE4A, PDE4B, BRAF LHCGR 2693/4885KDM4E 2429/4885HPGD 1654/4885

“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.