SCHEMBL1854432

SCHEMBL1854432

CCCCCCCCCCCCOc1ccc(CN(CCc2ccc(Cl)c(Cl)c2)C(=O)C(=O)OCC)c2ccccc12

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 2/20 0.42
LTB4R2 Q9NPC1 2/20 0.42
THRA P10827 2/20 0.41
THRB P10828 2/20 0.41
MEN1 O00255 1/20 0.40
HTT P42858 1/20 0.40
KMT2A Q03164 1/20 0.40
SLC2A1 P11166 1/20 0.39
CNR1 P21554 2/20 0.38
CNR2 P34972 2/20 0.38
TSHR P16473 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CDK8 P49336 1/20 0.37
CLK4 Q9HAZ1 1/20 0.37
S1PR2 O95136 1/20 0.37
S1PR1 P21453 1/20 0.37
S1PR3 Q99500 1/20 0.37
LPAR2 Q9HBW0 1/20 0.37
CYP2C9 P11712 1/20 0.37

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
SCHEMBL1857345 0.91 LTB4R (0.43) LTB4RLTB4R2THRATHRBMEN1
SCHEMBL1854493 0.82 SLC2A1 (0.44) LTB4RLTB4R2THRATHRBMEN1
SCHEMBL1852764 0.82 KCNH2 (0.44) THRATHRB
SCHEMBL6023318 0.79 SMN1; SMN2 (0.46) THRATHRBMEN1HTTKMT2A
SCHEMBL7234876 0.79 LTB4R (0.51) LTB4RLTB4R2THRATHRBMEN1
SCHEMBL7232656 0.79 LTB4R (0.51) LTB4RLTB4R2THRATHRBMEN1
SCHEMBL7237532 0.79 LTB4R (0.51) LTB4RLTB4R2THRATHRBMEN1
SCHEMBL1856733 0.78 THRA (0.41) LTB4RLTB4R2THRATHRBMEN1
SCHEMBL1856355 0.76 THRA (0.42) THRATHRBMEN1HTTKMT2A
SCHEMBL1854400 0.75 SLC2A1 (0.57) KMT2ASLC2A1SMN1; SMN2S1PR2S1PR1

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
EP-1470102-B1 SUBSTITUTED METHYLENE AMIDE DERIVATIVES AS MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPS) MERCK SERONO SA (CH) 2011-05-25 EP disclosed
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

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 LTB4R 3538/4885LTB4R2 3476/4885THRA 1194/4885

“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.