SCHEMBL2907979

SCHEMBL2907979

CC(=O)N/C(=C/c1ccc(Cl)c(C(F)(F)F)c1)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ KDR P35968 2/20 0.44
▸ HDAC1 Q13547 1/20 0.44
▸ HDAC8 Q9BY41 1/20 0.44
▸ HDAC6 Q9UBN7 1/20 0.44
▸ ITGB1 P05556 2/20 0.42
▸ ITGA4 P13612 2/20 0.42
▸ NPFFR2 Q9Y5X5 3/20 0.42
▸ NPFFR1 Q9GZQ6 2/20 0.42
▸ MCL1 Q07820 1/20 0.41
▸ PDK1 Q15118 1/20 0.40
▸ DHODH Q02127 1/20 0.40
▸ RECQL P46063 1/20 0.39
▸ APP P05067 1/20 0.39
▸ NOTUM Q6P988 2/20 0.38
▸ TRPV1 Q8NER1 1/20 0.38
▸ GRM4 Q14833 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ MAPT P10636 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
SCHEMBL4802326 1.00 KDR (0.44) KDRHDAC1HDAC8HDAC6ITGB1
SCHEMBL4802319 1.00 KDR (0.44) KDRHDAC1HDAC8HDAC6ITGB1
SCHEMBL5896689 0.84 MAPT (0.51) KDRITGB1ITGA4NPFFR2NPFFR1
SCHEMBL5896709 0.84 MAPT (0.51) KDRITGB1ITGA4NPFFR2NPFFR1
SCHEMBL5896702 0.84 MAPT (0.51) KDRITGB1ITGA4NPFFR2NPFFR1
SCHEMBL2165961 0.83 MCL1 (0.48) ITGB1ITGA4MCL1RECQLMAPT
SCHEMBL2165956 0.83 MCL1 (0.48) ITGB1ITGA4MCL1RECQLMAPT
SCHEMBL1205495 0.82 MCL1 (0.42) KDRHDAC1HDAC8HDAC6ITGB1
SCHEMBL1205496 0.82 MCL1 (0.42) KDRHDAC1HDAC8HDAC6ITGB1
SCHEMBL3563128 0.82 MCL1 (0.42) KDRHDAC1HDAC8HDAC6ITGB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1737842-B1 SELECTED CGRP ANTAGONISTS, METHOD FOR PRODUCING THE SAME AND THE USE THEREOF AS DRUGS BOEHRINGER INGELHEIM INT (DE) 2010-08-18 — — EP disclosed
US-7439237-B2 Selected CGRP-antagonists, process for preparing them and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-10-21 — — US disclosed
US-20070238715-A1 Selected CGRP-antagonists, process for preparing them and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-10-11 — — US disclosed
EP-1737842-A1 SELECTED CGRP ANTAGONISTS, METHOD FOR PRODUCING THE SAME AND THE USE THEREOF AS DRUGS Boehringer Ingelheim International GmbH (DE) 2007-01-03 — — EP disclosed
US-20050282857-A1 Selected CGRP-antagonists, process for preparing them and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-12-22 — — US disclosed
WO-2005100343-A1 SELECTED CGRP ANTAGONISTS, METHOD FOR PRODUCING THE SAME AND THE USE THEREOF AS DRUGS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-10-27 — — WO 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-20070238715-A1 Selected CGRP-antagonists, process for preparing them and their use as pharmaceutical compositions CALCRL, CALCR, CALCA KDR 1113/4885HDAC1 2754/4885HDAC8 4442/4885
US-20050282857-A1 Selected CGRP-antagonists, process for preparing them and their use as pharmaceutical compositions CALCRL, CALCR, CALCA KDR 1113/4885HDAC1 2754/4885HDAC8 4442/4885

“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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