SCHEMBL6834696

SCHEMBL6834696

CC(C)(C)OC(=O)N1CCC(CN=Cc2cc(C(=O)O)cc(-c3cccc(C#N)c3)c2)CC1

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 10/20 0.42
KDM4E B2RXH2 1/20 0.41
PKM P14618 1/20 0.41
NOTCH1 P46531 1/20 0.41
MGLL Q99685 1/20 0.41
USP30 Q70CQ3 2/20 0.41
CETP P11597 2/20 0.38
TGFBR1 P36897 1/20 0.37
YAP1 P46937 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
SCHEMBL6834695 1.00 GPR119 (0.42) GPR119KDM4EPKMNOTCH1MGLL
SCHEMBL6831982 0.92 NOTCH1 (0.41) GPR119KDM4EPKMNOTCH1MGLL
SCHEMBL6831983 0.92 NOTCH1 (0.41) GPR119KDM4EPKMNOTCH1MGLL
SCHEMBL6829137 0.82 P2RY14 (0.39)
SCHEMBL6829134 0.82 P2RY14 (0.39)
SCHEMBL27459780 0.81 MGLL (0.44) GPR119KDM4EPKMNOTCH1MGLL
SCHEMBL6831986 0.80 KDM4E (0.48) GPR119KDM4EPKMNOTCH1MGLL
SCHEMBL5775684 0.76 KDM4E (0.57) GPR119KDM4EPKMTGFBR1
SCHEMBL6832722 0.75 PLAU (0.38)
SCHEMBL6750024 0.74 NOTCH1 (0.44) GPR119KDM4EPKMNOTCH1MGLL

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
US-20040072866-A1 Process for preparation of cyanophenylbenzoic acid derivatives TEIJIN LIMITED (JP) 2004-04-15 US claimed
EP-1361213-A1 PROCESS FOR PREPARATION OF CYANOPHENYLBENZOIC ACID DERIVATIVES TEIJIN LIMITED (JP) 2003-11-12 EP claimed
US-20040072866-A1 Process for preparation of cyanophenylbenzoic acid derivatives TEIJIN LIMITED (JP) 2004-04-15 US disclosed
EP-1361213-A1 PROCESS FOR PREPARATION OF CYANOPHENYLBENZOIC ACID DERIVATIVES TEIJIN LIMITED (JP) 2003-11-12 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-20040072866-A1 Process for preparation of cyanophenylbenzoic acid derivatives CCNY, ACLY, IWS1 GPR119 3726/4885KDM4E 522/4885PKM 567/4885

“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.