SCHEMBL14814432

SCHEMBL14814432

O=S(=O)([O-])CCC(F)(F)C(F)(F)Br.[Na+]

nearest known ligand 0.37

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 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.37
MAPT P10636 1/20 0.37
ALOX15 P16050 1/20 0.37
GMNN O75496 1/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
TP53 P04637 1/20 0.34
TSHR P16473 1/20 0.34
MAPK1 P28482 1/20 0.34
THPO P40225 1/20 0.34
HBB P68871 1/20 0.34
PMP22 Q01453 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL29202198 0.76 KDM4E (0.36) KDM4EMAPTALOX15GMNNALDH1A1
SCHEMBL14814735 0.74 APLNR (0.31)
SCHEMBL28517546 0.74 CA2 (0.39) KDM4EMAPTALOX15GMNNALDH1A1
SCHEMBL14814433 0.73 PTGS1 (0.33) LMNA
Lithium Ion SCHEMBL29923898 0.70 KDM4E (0.38) KDM4EMAPTALOX15GMNNALDH1A1
Lithium Ion SCHEMBL29202216 0.70 CA2 (0.36) KDM4EMAPTALOX15
Potassium Ion SCHEMBL3953337 0.70 CA2 (0.36) KDM4EMAPTALOX15
SCHEMBL19811360 0.67 GMNN (0.48) KDM4EMAPTALOX15GMNNALDH1A1
SCHEMBL28570548 0.65 KDM4E (0.43) KDM4EMAPTALOX15GMNNALDH1A1
SCHEMBL19811487 0.65 GMNN (0.46) KDM4EMAPTALOX15GMNNALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9146470-B2 Photoacid generator and photoresist comprising same ROHM AND HAAS ELECTRONIC MATERIALS LLC (US) 2015-09-29 US disclosed
US-20150056558-A1 PHOTOACID GENERATOR AND PHOTORESIST COMPRISING SAME U.S. BANK TRUST COMPANY, NATIONAL ASSOCIATION, AS NOTES COLLATERAL AGENT 2015-02-26 US disclosed
US-8900794-B2 Photoacid generator and photoresist comprising same ROHM AND HAAS ELECTRONIC MATERIALS LLC (US) 2014-12-02 US disclosed
US-20130084525-A1 PHOTOACID GENERATOR AND PHOTORESIST COMPRISING SAME ROHM AND HAAS ELECTRONIC MATERIALS LLC (US) 2013-04-04 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-20130084525-A1 PHOTOACID GENERATOR AND PHOTORESIST COMPRISING SAME CRY1, CRY2, CHRM1 KDM4E 2135/4885MAPT 3642/4885ALOX15 1273/4885

“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.