SCHEMBL5116684

SCHEMBL5116684

O=C([O-])c1csc(Cc2cc(C(F)(F)F)ccc2OCc2ccc(Cl)cc2F)n1.[Na+]

nearest known ligand 0.62

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 9)

geneUniProtsupporting neighboursconfidence
PTGS1 known ✓ P23219 2/20 0.59
PTGER1 P34995 12/20 0.62
CYP1A2 P05177 4/20 0.59
CYP2C9 P11712 4/20 0.59
CYP2C19 P33261 3/20 0.59
TBXA2R P21731 2/20 0.59
PTGER3 P43115 2/20 0.59
PTGER2 P43116 2/20 0.59
CYP3A4 P08684 1/20 0.48

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
SCHEMBL5124962 0.91 PTGER1 (0.54) PTGER1CYP1A2CYP2C9CYP2C19TBXA2R
SCHEMBL5123439 0.89 PTGER1 (0.55) PTGER1CYP1A2CYP2C9CYP2C19TBXA2R
SCHEMBL5123525 0.89 PTGER1 (0.54) PTGER1CYP1A2CYP2C9CYP2C19TBXA2R
SCHEMBL5126896 0.88 PTGER1 (0.58) PTGER1CYP1A2CYP2C9CYP2C19TBXA2R
SCHEMBL5125557 0.88 PTGER1 (0.48) PTGER1CYP1A2CYP2C9CYP2C19TBXA2R
SCHEMBL5125245 0.88 PTGER1 (0.57) PTGER1CYP1A2CYP2C9CYP2C19TBXA2R
SCHEMBL5116560 0.87 PTGER1 (0.65) PTGER1CYP1A2CYP2C9CYP2C19TBXA2R
SCHEMBL5118081 0.85 PTGER1 (0.67) PTGER1CYP1A2CYP2C9CYP2C19TBXA2R
SCHEMBL5123576 0.85 PTGER1 (0.62) PTGER1CYP1A2CYP2C9CYP2C19TBXA2R
SCHEMBL5117448 0.85 PTGER1 (0.72) PTGER1CYP1A2CYP2C9CYP2C19TBXA2R

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-20080207708-A1 Oxazole and Thiazole Compounds and Their Use in the Treatment of Pge2 Mediated Disorders GLAXO GROUP LIMITED (GB) 2008-08-28 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-20080207708-A1 Oxazole and Thiazole Compounds and Their Use in the Treatment of Pge2 Mediated Disorders PTGER1, PTGER2, PTGER4 PTGS1 13/4885PTGER1 1/4885CYP1A2 61/4885

“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.