SCHEMBL7263143

SCHEMBL7263143

Cc1ccc(S(=O)(=O)N(CCc2ccc(-n3c(CCCc4ccccn4)nc4cc(C(F)(F)F)c(Cl)cc43)cc2)C(=O)O)cc1.Cc1ccc(S(=O)(=O)O)cc1

nearest known ligand 0.34

Known targets — ChEMBL curated mechanism

ABL1BMXBRAFBTKCHRNA4CHRNB2CSNK1EEGFRERBB2F10FLT1FLT3FLT4IGF1RINSRITKJAK3KDRKITOPRM1PARP1PARP2PDGFRBPIK3CDRAF1RETSLC18A2TECTXKdacAdacBdacCftsImrcAmrcBmrdArplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.34
LMNA P02545 2/20 0.34
NTRK1 P04629 1/20 0.34
NTRK2 Q16620 1/20 0.34
TRPM8 Q7Z2W7 5/20 0.34
CXCR3 P49682 4/20 0.33
PKM P14618 1/20 0.33
SLC12A2 P55011 1/20 0.33
SLC12A5 Q9H2X9 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
KDM4E B2RXH2 1/20 0.32
POLB P06746 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
PDE10A Q9Y233 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC8 Q9BY41 1/20 0.31
TP53 P04637 1/20 0.31

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
SCHEMBL1625772 0.97 ALDH1A1 (0.36) ALDH1A1LMNANTRK1NTRK2TRPM8
SCHEMBL6714655 0.89 PTGER4 (0.38) ALDH1A1NTRK1NTRK2TRPM8MEN1
SCHEMBL6710720 0.88 PTGER4 (0.39) ALDH1A1NTRK1NTRK2TRPM8MEN1
SCHEMBL6715058 0.88 NPC1 (0.37) TRPM8CXCR3
SCHEMBL1625686 0.87 NTRK1 (0.35) NTRK1NTRK2TRPM8KMT2APDE10A
SCHEMBL1625340 0.86 NTRK1 (0.36) NTRK1NTRK2TRPM8PDE10ATP53
SCHEMBL1623978 0.86 TBXAS1 (0.35) ALDH1A1NTRK1NTRK2TRPM8CXCR3
SCHEMBL1623250 0.85 PTGER4 (0.41) NTRK1NTRK2TRPM8
SCHEMBL1624796 0.85 NPC1 (0.39) ALDH1A1LMNATRPM8
SCHEMBL6713167 0.84 PTGER4 (0.41) ALDH1A1NTRK1NTRK2TRPM8MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030236260-A1 Use of EP4 receptor ligands in the treatment of IL-6 involved diseases SHIMOJO MASATO 2003-12-25 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-20030236260-A1 Use of EP4 receptor ligands in the treatment of IL-6 involved diseases PTGER4, PTGER1, IL6 ALDH1A1 1858/4885LMNA 3215/4885NTRK1 2177/4885

“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.