SCHEMBL16854540

SCHEMBL16854540

COC(=O)c1ccc(C2C(C(=O)OC3CCCCC3)=C(C)NC3=C2C(=O)CC(C)(C)C3)cc1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTCH1 P46531 5/20 0.75
CCNA2 P20248 1/20 0.75
CDK2 P24941 1/20 0.75
PSEN1 P49768 1/20 0.75
PSEN2 P49810 1/20 0.75
CCNA1 P78396 1/20 0.75
APH1B Q8WW43 1/20 0.75
NCSTN Q92542 1/20 0.75
APH1A Q96BI3 1/20 0.75
PSENEN Q9NZ42 1/20 0.75
KDM4E B2RXH2 11/20 0.67
ALDH1A1 P00352 9/20 0.67
HSD17B10 Q99714 4/20 0.67
NPSR1 Q6W5P4 3/20 0.67
TSHR P16473 3/20 0.67
CASP1 P29466 4/20 0.66
CASP7 P55210 3/20 0.66
TP53 P04637 1/20 0.66
GLA P06280 1/20 0.66
MAPT P10636 1/20 0.66

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
SCHEMBL16850575 0.91 NOTCH1 (0.75) NOTCH1CCNA2CDK2PSEN1PSEN2
SCHEMBL16854567 0.90 NOTCH1 (0.81) NOTCH1CCNA2CDK2PSEN1PSEN2
SCHEMBL16854538 0.90 NOTCH1 (0.81) NOTCH1CCNA2CDK2PSEN1PSEN2
SCHEMBL15538182 0.89 NOTCH1 (0.79) NOTCH1CCNA2CDK2PSEN1PSEN2
SCHEMBL15537010 0.89 NOTCH1 (0.75) NOTCH1CCNA2CDK2PSEN1PSEN2
SCHEMBL16854539 0.88 NOTCH1 (0.79) NOTCH1CCNA2CDK2PSEN1PSEN2
SCHEMBL15549932 0.88 NOTCH1 (0.74) NOTCH1CCNA2CDK2PSEN1PSEN2
SCHEMBL3325137 0.87 NOTCH1 (0.76) NOTCH1CCNA2CDK2PSEN1PSEN2
SCHEMBL15756097 0.87 NOTCH1 (0.73) NOTCH1CCNA2CDK2PSEN1PSEN2
SCHEMBL19366382 0.87 NOTCH1 (0.75) NOTCH1CCNA2CDK2PSEN1PSEN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2854809-B1 INHIBITORS OF THE NOTCH SIGNALLING PATHWAY AND SECRETION FOR USE IN MEDICINE LEIBNIZ-INSTITUT FÜR ALTERNSFORSCHUNG - FRITZ-LIPMANN-INSTITUT E V (FLI) (DE) 2017-12-06 EP disclosed
US-9828344-B2 Inhibitors of the notch signaling pathway and secretion for use in medicine LEIBNIZ-INSTITUT FÜR ALTERSFORSCHUNG FRITZ-LIPMANN-INSTITUT e.V. (FLI) (DE) 2017-11-28 US disclosed
US-20150175548-A1 INHIBITORS OF THE NOTCH SIGNALLING PATHWAY AND SECRETION FOR USE IN MEDICINE LEIBNIZ-INSTITUT FÜR ALTERSFORSCHUNG FRITZ-LIPMANN-INSTITUT e.V. (FLI) (DE) 2015-06-25 US 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-20150175548-A1 INHIBITORS OF THE NOTCH SIGNALLING PATHWAY AND SECRETION FOR USE IN MEDICINE NOTCH1, HES1, NOTCH2 NOTCH1 1/4885CCNA2 3104/4885CDK2 981/4885

“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.