SCHEMBL5339229

SCHEMBL5339229

O=C([O-])CCSC1c2cc(C=Cc3ccc4cc(F)c(Cl)cc4n3)ccc2C=Cc2c1cccc2C(F)(F)F.[Na+]

nearest known ligand 0.42

Known targets — ChEMBL curated mechanism

ABCC8ACEADORA1ADORA2AADORA2BADORA3ALDH5A1ALOX5ALOX5APATP4AATP4BBRAFCA1CA12CA2CA4CYSLTR1DHFRDPEP1EDNRAEDNRBESR2F10FDPSFGF1GABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGARTGNRHRGSC1HMGCRIMPDH1IMPDH2KCNJ11LY96NOD2NR3C1NS3NS4ANS5bP2RY1P2RY12P2RY2P2RY4P2RY6PBP2XPDE3APDE3BPDE4APDE4BPDE4CPDE4DPDK1PDK2PDK3PDK4PPARGPPATPTGIRPTGS1PTGS2RAF1RYR1RYR3SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASERPINC1SLC12A1SLC12A3SYKTHRATHRBTLR3TLR4TLR9TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYMSVKORC1XDHblablaIMP-1blaOXA-33blaOXA-58blaT-3blaT-4blaT-5blaT-6dacAdacBdacCfolAfolPfolP1ftsIfusAgaggyrAgyrBmecAmrcAmrcBmrdApbp1apbp1bpbp2pbp2apbp2bpbp3pbp4pbpApbpBpbpCpbpFpolponBrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpoArpoBrpoCrpoZrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

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 8)

geneUniProtsupporting neighboursconfidence
CYSLTR1 known ✓ Q9Y271 10/20 0.42
CYSLTR2 Q9NS75 9/20 0.42
ABCC1 P33527 2/20 0.38
ABCC2 Q92887 2/20 0.38
CYP2C8 P10632 1/20 0.32
CYP2C9 P11712 1/20 0.32
FPR1 P21462 1/20 0.32
GPR183 P32249 1/20 0.32

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
SCHEMBL5339220 1.00 CYSLTR1 (0.42) CYSLTR1CYSLTR2ABCC1ABCC2CYP2C8
SCHEMBL5338653 0.93 CYSLTR1 (0.40) CYSLTR1CYSLTR2ABCC1ABCC2
SCHEMBL5338648 0.93 CYSLTR1 (0.40) CYSLTR1CYSLTR2ABCC1ABCC2
SCHEMBL5339118 0.93 CYSLTR1 (0.45) CYSLTR1CYSLTR2ABCC1ABCC2
SCHEMBL5339124 0.93 CYSLTR1 (0.45) CYSLTR1CYSLTR2ABCC1ABCC2
SCHEMBL5335622 0.92 CYSLTR1 (0.44) CYSLTR1CYSLTR2ABCC1ABCC2
SCHEMBL5335627 0.92 CYSLTR1 (0.44) CYSLTR1CYSLTR2ABCC1ABCC2
SCHEMBL5333735 0.89 CYSLTR1 (0.45) CYSLTR1CYSLTR2ABCC1ABCC2
SCHEMBL5333732 0.89 CYSLTR1 (0.45) CYSLTR1CYSLTR2ABCC1ABCC2
SCHEMBL5332790 0.86 CYSLTR1 (0.44) CYSLTR1CYSLTR2ABCC1ABCC2

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
US-7309718-B2 Dibenzocycloheptene compound UBE INDUSTRIES, LTD. (JP) 2007-12-18 US disclosed
US-20040180884-A1 Dibenzocycloheptene compound UBE INDUSTRIES, LTD. (JP) 2004-09-16 US disclosed
EP-1408033-A1 DIBENZOCYCLOHEPTENE COMPOUND Ube Industries, Ltd. (JP) 2004-04-14 EP 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-20040180884-A1 Dibenzocycloheptene compound LTB4R2, LTA4H, LTC4S CYSLTR1 6/4885CYSLTR2 5/4885ABCC1 1969/4885

“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.