SCHEMBL4032352

SCHEMBL4032352

Cc1sc(-c2ccccc2)nc1COc1cc(CO)on1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.45
SMPD1 P17405 1/20 0.42
KDR P35968 1/20 0.40
HRH3 Q9Y5N1 2/20 0.39
F2RL3 Q96RI0 3/20 0.39
PPARG P37231 4/20 0.39
PPARA Q07869 4/20 0.39
CYP2C9 P11712 1/20 0.39
KCNH2 Q12809 1/20 0.39
GABRA5 P31644 1/20 0.38
CDC7 O00311 1/20 0.38
TRPM8 Q7Z2W7 1/20 0.38
DBF4 Q9UBU7 1/20 0.38
F2 P00734 1/20 0.37
RARA P10276 1/20 0.37
RARB P10826 1/20 0.37
RARG P13631 1/20 0.37

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
SCHEMBL4029865 0.83 SMPD1 (0.48) SMPD1F2RL3PPARGPPARAGABRA5
SCHEMBL4038043 0.81 CFD (0.44) F2RL3PPARGPPARA
SCHEMBL4038147 0.80 CD274 (0.45) HRH3
SCHEMBL4030301 0.79 KDR (0.61) NOTUMKDRPPARGPPARA
SCHEMBL4032829 0.78 NPC1 (0.42) SMPD1F2RL3F2
SCHEMBL4035756 0.78 PPARA (0.37) SMPD1F2RL3PPARGPPARACYP2C9
SCHEMBL4034776 0.78 GABRA5 (0.39) HRH3F2RL3GABRA5
SCHEMBL4038650 0.78 GABRA5 (0.36) SMPD1HRH3F2RL3PPARGPPARA
SCHEMBL4035370 0.78 FFAR1 (0.48) KDRHRH3PPARGPPARACYP2C9
SCHEMBL4037971 0.76 GABRA5 (0.34) HRH3F2RL3GABRA5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1357115-B1 ALKANOIC ACID DERIVATIVES, PROCESS FOR THEIR PRODUCTION AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2009-06-17 EP disclosed
US-7238716-B2 Alkanoic acid derivatives process for their production and use thereof TAKEDA PHARMACEUTICALS COMPANY LIMITED (JP) 2007-07-03 US disclosed
US-20040058965-A1 Alkanoic acid derivatives process for their production and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-03-25 US disclosed
EP-1357115-A1 ALKANOIC ACID DERIVATIVES, PROCESS FOR THEIR PRODUCTION AND USE THEREOF Takeda Chemical Industries, Ltd. (JP) 2003-10-29 EP 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-20040058965-A1 Alkanoic acid derivatives process for their production and use thereof GPR119, ACOX1, ALK NOTUM 1000/4885SMPD1 2238/4885KDR 1328/4885

“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.