SCHEMBL5371987

SCHEMBL5371987

CCOC(=O)CCc1cn(Cc2ccc(OCc3nc(-c4ccccc4)oc3C)c(OC)c2)nc1OCC

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.41
MAPT P10636 2/20 0.41
LMNA P02545 2/20 0.41
KDR P35968 1/20 0.41
PPARG P37231 8/20 0.40
PPARA Q07869 5/20 0.40
KMT2A Q03164 2/20 0.39
TP53 P04637 1/20 0.39
MEN1 O00255 1/20 0.39
USP2 O75604 1/20 0.39
TSHR P16473 1/20 0.39
MAPK1 P28482 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
SCHEMBL5387682 0.98 FFAR1 (0.46) FFAR1SMN1; SMN2MAPTLMNAKDR
SCHEMBL5376634 0.96 FFAR1 (0.47) FFAR1SMN1; SMN2MAPTLMNAKDR
SCHEMBL5374354 0.94 FFAR1 (0.52) FFAR1SMN1; SMN2MAPTKDRPPARG
SCHEMBL5381174 0.92 FFAR1 (0.53) FFAR1MAPTKDRPPARGPPARA
SCHEMBL5376777 0.90 FFAR1 (0.54) FFAR1SMN1; SMN2MAPTLMNAKDR
SCHEMBL5385603 0.89 PPARG (0.49) SMN1; SMN2MAPTLMNAPPARGPPARA
SCHEMBL5378957 0.89 TSHR (0.46) SMN1; SMN2MAPTLMNAPPARGPPARA
SCHEMBL5371978 0.88 FFAR1 (0.57) FFAR1MAPTKDRPPARGPPARA
SCHEMBL5383071 0.87 KDR (0.56) FFAR1KDRPPARGPPARA
SCHEMBL5376749 0.87 FFAR1 (0.45) FFAR1SMN1; SMN2KDRPPARGPPARA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7179823-B1 5-membered n-heterocyclic compounds with hypoglycemic and hypolipidemic activity TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-02-20 US disclosed
US-20050014813-A1 Process for production of pyrazole compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-01-20 US disclosed
EP-1457490-A1 5-membered N-heterocyclic compounds with hypoglycemic and hypolipidemic activity Takeda Chemical Industries, Ltd. (JP) 2004-09-15 EP disclosed
EP-1445254-A1 PROCESS FOR PRODUCTION OF PYRAZOLE COMPOUNDS Takeda Chemical Industries, Ltd. (JP) 2004-08-11 EP disclosed
EP-1228067-B1 5-MEMBERED N-HETEROCYCLIC COMPOUNDS WITH HYPOGLYCEMIC AND HYPOLIPIDEMIC ACTIVITY TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2004-07-14 EP disclosed
EP-1228067-A1 5-MEMBERED N-HETEROCYCLIC COMPOUNDS WITH HYPOGYLCEMIC AND HYPOLIPIDEMIC ACTIVITY Takeda Chemical Industries, Ltd. (JP) 2002-08-07 EP disclosed
WO-2001038325-A1 5-MEMBERED N-HETEROCYCLIC COMPOUNDS WITH HYPOGLYCEMIC AND HYPOLIPIDEMIC ACTIVITY TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-05-31 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-20050014813-A1 Process for production of pyrazole compounds REN, CYP11B1, CYP11B2 FFAR1 2466/4885SMN1; SMN2 4662/4885MAPT 3991/4885

“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.