SCHEMBL4904127

SCHEMBL4904127

N#C/C(=C\c1ccc(Cl)c(Cl)c1)C(=O)O

nearest known ligand 0.68

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 2/20 0.64
▸ KDM4E B2RXH2 2/20 0.60
▸ CISD1 Q9NZ45 1/20 0.60
▸ SLC16A3 O15427 1/20 0.60
▸ ALDH1A1 P00352 1/20 0.60
▸ CYP3A4 P08684 1/20 0.60
▸ HPGD P15428 1/20 0.60
▸ SLC16A1 P53985 1/20 0.60
▸ GPR35 Q9HC97 1/20 0.60

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
SCHEMBL4904140 1.00 EGFR (0.64) EGFRKDM4ECISD1SLC16A3ALDH1A1
SCHEMBL28791203 0.86 EGFR (0.59) EGFRKDM4ECISD1SLC16A3ALDH1A1
SCHEMBL29538020 0.86 EGFR (0.59) EGFRKDM4ECISD1SLC16A3ALDH1A1
SCHEMBL14689856 0.83 EGFR (0.54) EGFRKDM4ECISD1SLC16A3ALDH1A1
SCHEMBL14689857 0.83 EGFR (0.54) EGFRKDM4ECISD1SLC16A3ALDH1A1
SCHEMBL2819060 0.82 CYP1A2 (0.60) EGFRKDM4ECISD1SLC16A3ALDH1A1
SCHEMBL2819059 0.82 CYP1A2 (0.60) EGFRKDM4ECISD1SLC16A3ALDH1A1
SCHEMBL27748780 0.82 CYP1A2 (0.60) EGFRKDM4ECISD1SLC16A3ALDH1A1
SCHEMBL4600832 0.82 EGFR (0.85) EGFRKDM4ECISD1SLC16A3ALDH1A1
SCHEMBL4600830 0.82 EGFR (0.85) EGFRKDM4ECISD1SLC16A3ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150274633-A2 PAIN RELIEF COMPOUNDS UNIVERSITÉ CLERMONT AUVERGNE (FR) 2015-10-01 — — US disclosed
US-20150274633-A2 PAIN RELIEF COMPOUNDS UNIVERSITÉ CLERMONT AUVERGNE (FR) 2015-10-01 — — US disclosed
US-20150038466-A1 PAIN RELIEF COMPOUNDS ECOLE NATIONALE SUPERIEURE DE CHIMIE DE CLERMONT FERRAND (FR) 2015-02-05 — — US disclosed
US-20150038466-A1 PAIN RELIEF COMPOUNDS ECOLE NATIONALE SUPERIEURE DE CHIMIE DE CLERMONT FERRAND (FR) 2015-02-05 — — US disclosed
WO-2013098416-A2 PAIN RELIEF COMPOUNDS ECOLE NATIONALE SUPERIEURE DE CHIMIE DE CLERMONT FERRAND (FR) 2013-07-04 — — WO disclosed
EP-1984377-A2 INHIBITORS OF TNF ALPHA , PDE4 AND B-RAF, COMPOSITIONS THEREOF AND METHODS OF USE THEREWITH Signal Pharmaceuticals LLC (US) 2008-10-29 — — EP disclosed
US-20080004271-A1 Inhibitors of TNFalpha, PDE4 and B-RAF, compositions thereof and methods of use therewith MCKENNA JEFFREY M 2008-01-03 — — US disclosed
WO-2007084560-A2 INHIBITORS OF TNFα, PDE4 AND B-RAF, COMPOSITIONS THEREOF AND METHODS OF USE THEREWITH SIGNAL PHARMACEUTICALS, LLC (US) 2007-07-26 — — 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 (3 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-20080004271-A1 Inhibitors of TNFalpha, PDE4 and B-RAF, compositions thereof and methods of use therewith PDE4A, PDE4B, BRAF EGFR 2955/4885KDM4E 2429/4885CISD1 3752/4885
US-20150038466-A1 PAIN RELIEF COMPOUNDS OPRL1, OPRK1, TRPV1 EGFR 4863/4885KDM4E 3622/4885CISD1 4136/4885
US-20150274633-A2 PAIN RELIEF COMPOUNDS OPRL1, OPRK1, TRPV1 EGFR 4863/4885KDM4E 3622/4885CISD1 4136/4885

“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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