SCHEMBL4035756

SCHEMBL4035756

Cc1sc(-c2ccccc2)nc1COc1cc(COc2ncccc2CC(=O)O)on1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 7/20 0.37
PPARG P37231 5/20 0.37
KDM4E B2RXH2 4/20 0.36
ALDH1A1 P00352 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
NLRP1 Q9C000 1/20 0.36
SMPD1 P17405 1/20 0.36
CYP2C9 P11712 1/20 0.36
KCNH2 Q12809 1/20 0.36
PPARD Q03181 2/20 0.35
PTGDR2 Q9Y5Y4 3/20 0.34
F2RL3 Q96RI0 1/20 0.34
POLB P06746 1/20 0.34
PTGER4 P35408 2/20 0.34
PTGER1 P34995 1/20 0.34
PTGER3 P43115 1/20 0.34
PTGER2 P43116 1/20 0.34
ROCK2 O75116 1/20 0.34
RARA P10276 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
SCHEMBL4038043 0.88 CFD (0.44) PPARAPPARGALDH1A1MEN1KMT2A
SCHEMBL4037971 0.86 GABRA5 (0.34) KDM4EALDH1A1MEN1KMT2ANLRP1
SCHEMBL4037802 0.84 KDM4E (0.50) PPARAPPARGKDM4EPPARD
SCHEMBL4038650 0.84 GABRA5 (0.36) PPARAPPARGKDM4EALDH1A1MEN1
SCHEMBL4032477 0.83 FFAR1 (0.45) PPARAPPARGCYP2C9KCNH2PPARD
SCHEMBL4034776 0.82 GABRA5 (0.39) F2RL3
SCHEMBL4034564 0.81 PPARG (0.45) PPARAPPARGPPARD
SCHEMBL4032829 0.80 NPC1 (0.42) KDM4EALDH1A1MEN1KMT2ASMPD1
SCHEMBL4032352 0.78 NOTUM (0.45) PPARAPPARGSMPD1CYP2C9KCNH2
SCHEMBL4029865 0.76 SMPD1 (0.48) PPARAPPARGKDM4EALDH1A1MEN1

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 PPARA 156/4885PPARG 593/4885KDM4E 570/4885

“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.