SCHEMBL4497968

SCHEMBL4497968

CCC(=O)NC(=Cc1cc(C)c(N)c(C(F)(F)F)c1)C(=O)O

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ F2 P00734 1/20 0.34
▸ PRSS1 P07477 1/20 0.34
▸ PRSS2 P07478 1/20 0.34
▸ PRSS3 P35030 1/20 0.34
▸ EPHX2 P34913 2/20 0.33
▸ PPARG P37231 1/20 0.32
▸ APP P05067 1/20 0.32
▸ KDM4E B2RXH2 2/20 0.31
▸ MAPT P10636 1/20 0.31
▸ ALDH1A1 P00352 2/20 0.30
▸ TP53 P04637 1/20 0.30
▸ CFTR P13569 1/20 0.30

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
SCHEMBL3522311 0.88 MEN1 (0.34) F2PRSS1PRSS2PRSS3APP
SCHEMBL3522308 0.88 MEN1 (0.34) F2PRSS1PRSS2PRSS3APP
SCHEMBL3522307 0.88 MEN1 (0.34) F2PRSS1PRSS2PRSS3APP
SCHEMBL2165651 0.87 ALDH1A1 (0.35) KDM4EMAPTALDH1A1TP53
SCHEMBL1206816 0.82 TSHR (0.38) KDM4EMAPTALDH1A1
SCHEMBL4497965 0.76 MEN1 (0.38) APPKDM4EALDH1A1CFTR
SCHEMBL2165527 0.74 NOS3 (0.37) KDM4EMAPTALDH1A1TP53
SCHEMBL1205495 0.74 MCL1 (0.42) APP
SCHEMBL1205496 0.74 MCL1 (0.42) APP
SCHEMBL3563128 0.74 MCL1 (0.42) APP

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-7528129-B2 CGRP-antagonists, process for preparing them and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-05-05 — — US disclosed
US-20060252931-A1 New CGRP-antagonists, process for preparing them and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-11-09 — — 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-20060252931-A1 New CGRP-antagonists, process for preparing them and their use as pharmaceutical compositions CALCRL, CALCR, CALCA F2 339/4885PRSS1 945/4885PRSS2 1081/4885

“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.

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