SCHEMBL6831983

SCHEMBL6831983

COC(=O)c1cc(C=NCC2CCN(C(=O)OC(C)(C)C)CC2)cc(-c2cccc(C#N)c2)c1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NOTCH1 P46531 1/20 0.41
GPR119 Q8TDV5 8/20 0.41
KDM4E B2RXH2 1/20 0.40
PKM P14618 1/20 0.40
USP30 Q70CQ3 1/20 0.40
CETP P11597 3/20 0.38
MGLL Q99685 1/20 0.38
YAP1 P46937 1/20 0.37
PTPN2 P17706 1/20 0.36
PTPN1 P18031 1/20 0.36
PTPN6 P29350 1/20 0.36
TGFBR1 P36897 1/20 0.36

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
SCHEMBL6831982 1.00 NOTCH1 (0.41) NOTCH1GPR119KDM4EPKMUSP30
SCHEMBL6834696 0.92 GPR119 (0.42) NOTCH1GPR119KDM4EPKMUSP30
SCHEMBL6834695 0.92 GPR119 (0.42) NOTCH1GPR119KDM4EPKMUSP30
SCHEMBL6832722 0.84 PLAU (0.38)
SCHEMBL6832720 0.84 PLAU (0.38)
SCHEMBL6318034 0.82 KDM4E (0.46) NOTCH1GPR119KDM4EPKMCETP
SCHEMBL7038825 0.82 NOTCH1 (0.44) NOTCH1GPR119KDM4EPKMCETP
SCHEMBL6812071 0.80 GPR119 (0.42) NOTCH1GPR119KDM4EPKMUSP30
SCHEMBL6749986 0.79 GPR119 (0.43) NOTCH1GPR119KDM4EPKMMGLL
SCHEMBL7040337 0.78 GPR119 (0.43) NOTCH1GPR119USP30MGLLPTPN2

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 2 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 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 NOTCH1 4844/4885GPR119 3726/4885KDM4E 522/4885

“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.