SCHEMBL8989130

SCHEMBL8989130

Cc1ccc(-c2nc(C)c(CO)s2)cc1

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.54
GAA P10253 1/20 0.54
RAB9A P51151 1/20 0.54
ALOX5 P09917 3/20 0.51
MAPT P10636 10/20 0.49
TP53 P04637 6/20 0.49
LMNA P02545 4/20 0.49
THRB P10828 1/20 0.49
TRPM8 Q7Z2W7 1/20 0.47
COMT P21964 1/20 0.45
FFAR1 O14842 1/20 0.44
PPARD Q03181 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
SCHEMBL4474091 0.86 LMNA (0.48) KDM4EGAARAB9AALOX5MAPT
SCHEMBL95917 0.86 RAB9A (0.56) KDM4EGAARAB9AALOX5MAPT
SCHEMBL3077683 0.86 SMN1; SMN2 (0.56) KDM4EGAARAB9AMAPTTP53
SCHEMBL11950421 0.84 KDM4E (0.51) KDM4EGAARAB9AALOX5MAPT
SCHEMBL28295525 0.83 ALOX5 (0.60) ALOX5MAPTTP53LMNATHRB
SCHEMBL3371906 0.83 MAPT (0.55) KDM4EGAARAB9AMAPTLMNA
SCHEMBL1508353 0.82 NPC1 (0.58) KDM4EGAAMAPTFFAR1PPARD
SCHEMBL2241995 0.82 KDM4E (0.50) KDM4EGAARAB9AALOX5MAPT
SCHEMBL28178934 0.82 KDM4E (0.50) KDM4EGAARAB9AALOX5MAPT
Hydrochloric Acid SCHEMBL4759944 0.81 KDM4E (0.49) KDM4EGAARAB9AALOX5MAPT

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-20110184186-A1 PROCESS FOR PREPARING LIGANDS OF PPARDELTA AND THE INTERMEDIATE COMPOUNDS FOR PREPARING THE SAME SEOUL NATIONAL UNIVERSITY INDUSTRY FOUNDATION (KR) 2011-07-28 US disclosed
US-5545645-A Heterocyclic derivatives in the treatment of ischaemia and related diseases SYNTEX PHARMACEUTICALS, LIMITED (GB) 1996-08-13 US disclosed
US-5428037-A Piperazine derivatives; calcium and sodium channel antagonists SYNTEX PHARMACEUTICALS, LTD. (GB) 1995-06-27 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-20110184186-A1 PROCESS FOR PREPARING LIGANDS OF PPARDELTA AND THE INTERMEDIATE COMPOUNDS FOR PREPARING THE SAME PPARG, PPARD, PPARA KDM4E 4310/4885GAA 1778/4885RAB9A 3247/4885

“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.