SCHEMBL3522308

SCHEMBL3522308

CC(=O)N/C(=C\c1cc(C)c(N)c(C(F)(F)F)c1)C(=O)O

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ MCL1 Q07820 1/20 0.34
▸ APP P05067 1/20 0.33
▸ RECQL P46063 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ EPHX1 P07099 1/20 0.32
▸ F2 P00734 1/20 0.31
▸ PRSS1 P07477 1/20 0.31
▸ PRSS2 P07478 1/20 0.31
▸ PRSS3 P35030 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.30
▸ ITGB1 P05556 2/20 0.30
▸ ITGA4 P13612 2/20 0.30
▸ SORT1 Q99523 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
SCHEMBL3522307 1.00 MEN1 (0.34) MEN1KMT2AMCL1APPRECQL
SCHEMBL3522311 1.00 MEN1 (0.34) MEN1KMT2AMCL1APPRECQL
SCHEMBL4497968 0.88 F2 (0.34) APPKDM4EF2PRSS1PRSS2
SCHEMBL4497965 0.88 MEN1 (0.38) MEN1KMT2AAPPKDM4EEPHX1
SCHEMBL3091278 0.86 MEN1 (0.42) MEN1KMT2AMCL1RECQLKDM4E
SCHEMBL3091267 0.86 MEN1 (0.42) MEN1KMT2AMCL1RECQLKDM4E
SCHEMBL3091281 0.86 MEN1 (0.42) MEN1KMT2AMCL1RECQLKDM4E
SCHEMBL1205495 0.86 MCL1 (0.42) MCL1APPRECQLEPHX1ITGB1
SCHEMBL1205496 0.86 MCL1 (0.42) MCL1APPRECQLEPHX1ITGB1
SCHEMBL3563128 0.86 MCL1 (0.42) MCL1APPRECQLEPHX1ITGB1

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
US-20100144716-A1 New CGRP-antagonists, process for preparing them and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-06-10 — — US disclosed
US-7696209-B2 CGRP-antagonists, process for preparing them and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-04-13 — — US disclosed
US-20090186881-A1 CGRP-antagonists, process for preparing them and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-07-23 — — 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 (2 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-20090186881-A1 CGRP-antagonists, process for preparing them and their use as pharmaceutical compositions CALCRL, CALCR, CALCA MEN1 684/4885KMT2A 4785/4885MCL1 4305/4885
US-20100144716-A1 New CGRP-antagonists, process for preparing them and their use as pharmaceutical compositions CALCRL, CALCR, CALCA MEN1 678/4885KMT2A 4813/4885MCL1 4409/4885

“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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