SCHEMBL4324770

SCHEMBL4324770

FC(F)(F)c1ccc(CNCc2ccc(-c3cccc4c3oc3ccccc34)cc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.46
EPHX2 P34913 2/20 0.45
GGPS1 O95749 1/20 0.42
CYP1A1 P04798 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2E1 P05181 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C8 P10632 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2A6 P11509 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP4B1 P13584 1/20 0.42
CYP2B6 P20813 1/20 0.42
CYP3A5 P20815 1/20 0.42
CYP2A7 P20853 1/20 0.42
CYP3A7 P24462 1/20 0.42
CYP2F1 P24903 1/20 0.42
CYP2C18 P33260 1/20 0.42
CYP2C19 P33261 1/20 0.42
CYP2J2 P51589 1/20 0.42

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
SCHEMBL1856644 0.90 EPHX2 (0.48) ALOX5EPHX2GGPS1CYP1A1CYP1A2
SCHEMBL5046221 0.86 ALOX5 (0.47) ALOX5EPHX2GGPS1CYP1A1CYP1A2
SCHEMBL5048898 0.82 ALOX5 (0.43) ALOX5EPHX2GGPS1CYP1A1CYP1A2
SCHEMBL6721473 0.81 ALOX5 (0.42) ALOX5EPHX2GGPS1CYP1A1CYP1A2
SCHEMBL1852378 0.80 ALOX5 (0.42) ALOX5GGPS1CYP1A1CYP1A2CYP2E1
SCHEMBL26548045 0.80 ALOX5 (0.51) ALOX5EPHX2GGPS1CYP1A1CYP1A2
SCHEMBL26548439 0.80 ALOX5 (0.51) ALOX5EPHX2GGPS1CYP1A1CYP1A2
SCHEMBL26548943 0.79 ALOX5 (0.50) ALOX5EPHX2GGPS1CYP1A1CYP1A2
SCHEMBL6918012 0.79 ALOX5 (0.47) ALOX5EPHX2GGPS1CYP1A1CYP1A2
SCHEMBL26548618 0.79 ALOX5 (0.50) ALOX5EPHX2GGPS1CYP1A1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1732534-B1 USE OF METHYLENE AMIDE DERIVATIVES IN CARDIOVASCULAR DISORDERS SERONO LAB (CH) 2008-07-23 EP claimed
US-7592477-B2 Substituted methylene amide derivatives as modulators of protein tyrosine phosphatases (PTPs) LABORATOIRES SERONO SA (CH) 2009-09-22 US disclosed
US-20050124656-A1 Substituted methylene amide derivatives as modulators of protein tyrosine phosphatases(ptps) APPLIED RESEARCH SYSTEMS ARS (NL) 2005-06-09 US disclosed
EP-1470102-A1 SUBSTITUTED METHYLENE AMIDE DERIVATIVES AS MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPS) Applied Research Systems ARS Holding N.V. (AN) 2004-10-27 EP disclosed
WO-2003064376-A1 SUBSTITUTED METHYLENE AMIDE DERIVATIVES AS MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPS) APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2003-08-07 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 (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-20050124656-A1 Substituted methylene amide derivatives as modulators of protein tyrosine phosphatases(ptps) PTPRS, PTPA, PTPMT1 ALOX5 1837/4885EPHX2 2771/4885GGPS1 515/4885

“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.