SCHEMBL4287381

SCHEMBL4287381

CCCCCCCCCCc1ccc(CN(C)C2CCC(C(=O)O)(C(=O)O)CC2)c(F)c1F

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.34
MEN1 O00255 1/20 0.34
TP53 P04637 1/20 0.34
CYP3A4 P08684 1/20 0.34
ALOX5 P09917 1/20 0.34
MAPT P10636 1/20 0.34
TYR P14679 1/20 0.34
ALOX15 P16050 1/20 0.34
HTT P42858 1/20 0.34
KMT2A Q03164 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
CNR2 P34972 6/20 0.33
BID P55957 3/20 0.33
MCL1 Q07820 3/20 0.33
CNR1 P21554 3/20 0.33
BCL2L1 Q07817 2/20 0.33
BAK1 Q16611 2/20 0.33
KAT8 Q9H7Z6 2/20 0.33
S1PR1 P21453 1/20 0.33
PPARG P37231 1/20 0.33

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
SCHEMBL4290755 1.00 TSHR (0.34) TSHRMEN1TP53CYP3A4ALOX5
SCHEMBL4300194 0.94 SPHK1 (0.33) TSHRMEN1TP53CYP3A4ALOX5
SCHEMBL4288626 0.94 SPHK1 (0.33) TSHRMEN1TP53CYP3A4ALOX5
SCHEMBL4288416 0.92 DRD4 (0.33) TSHRMEN1MAPTHTTKMT2A
SCHEMBL4288406 0.92 DRD4 (0.33) TSHRMEN1MAPTHTTKMT2A
SCHEMBL4293674 0.90 TSHR (0.36) TSHRMEN1TP53CYP3A4ALOX5
SCHEMBL4287267 0.88 CNR2 (0.34) TSHRMEN1TP53CYP3A4ALOX5
SCHEMBL4287288 0.88 CNR2 (0.34) TSHRMEN1TP53CYP3A4ALOX5
SCHEMBL4287094 0.88 POLB (0.32) TSHRMEN1MAPTKMT2ACNR2
SCHEMBL5794211 0.88 SPHK1 (0.32) CNR2CNR1S1PR1

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
US-20090264469-A1 NOVEL DICARBOXYLIC ACID DERIVATIVES BIO-PROJET (FR) 2009-10-22 US claimed
US-20090264469-A1 NOVEL DICARBOXYLIC ACID DERIVATIVES BIO-PROJET (FR) 2009-10-22 US disclosed
US-20090264469-A1 NOVEL DICARBOXYLIC ACID DERIVATIVES BIO-PROJET (FR) 2009-10-22 US disclosed
US-20090264469-A1 NOVEL DICARBOXYLIC ACID DERIVATIVES BIO-PROJET (FR) 2009-10-22 US disclosed
WO-2006043149-A9 NOVEL DICARBOXYLIC ACID DERIVATIVES BIOPROJET SOC CIV (FR) 2006-08-10 WO disclosed
WO-2006043149-A2 NOVEL DICARBOXYLIC ACID DERIVATIVES BIOPROJET (FR) 2006-04-27 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 (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-20090264469-A1 NOVEL DICARBOXYLIC ACID DERIVATIVES S1PR2, S1PR1, S1PR5 TSHR 1450/4885MEN1 2804/4885TP53 3397/4885

“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.