SCHEMBL4184566

SCHEMBL4184566

O=c1c(Cl)c(OS(=O)(=O)C(F)(F)F)cnn1CC(F)(F)F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.40
HTT P42858 7/20 0.38
ALDH1A1 P00352 7/20 0.38
SMN1; SMN2 Q16637 6/20 0.38
LMNA P02545 5/20 0.38
CNR1 P21554 1/20 0.34
RAB9A P51151 6/20 0.34
NPC1 O15118 4/20 0.34
MAPT P10636 3/20 0.34
NPSR1 Q6W5P4 5/20 0.33
MITF O75030 2/20 0.33
PKM P14618 1/20 0.33
XBP1 P17861 2/20 0.32
CYP1A2 P05177 1/20 0.32
HSP90AA1 P07900 1/20 0.32
HPGD P15428 1/20 0.32
CYP2C19 P33261 1/20 0.32
ESR2 Q92731 1/20 0.32
JAK2 O60674 1/20 0.31
S1PR2 O95136 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
SCHEMBL20974199 0.77 ALDH1A1 (0.42) PTGS2HTTALDH1A1SMN1; SMN2LMNA
SCHEMBL16895310 0.77 SMN1; SMN2 (0.49) HTTALDH1A1SMN1; SMN2LMNARAB9A
SCHEMBL4190041 0.75 HTT (0.55) HTTALDH1A1SMN1; SMN2LMNACNR1
SCHEMBL28509663 0.73 ALDH1A1 (0.43) PTGS2HTTALDH1A1SMN1; SMN2LMNA
SCHEMBL4194133 0.72 HTT (0.43) PTGS2HTTALDH1A1SMN1; SMN2LMNA
SCHEMBL30075979 0.70 ALDH1A1 (0.41) PTGS2HTTALDH1A1SMN1; SMN2LMNA
SCHEMBL26019884 0.69 ALDH1A1 (0.38) ALDH1A1LMNAESR2POLB
SCHEMBL4180488 0.67 PTGS2 (0.70) PTGS2
SCHEMBL7806721 0.66 HTT (0.46) HTTALDH1A1SMN1; SMN2LMNACNR1
SCHEMBL4190142 0.65 PTGS2 (0.50) PTGS2HTTALDH1A1RAB9ANPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090042888-A1 Prostaglandin endoperoxide H synthase biosynthesis inhibitors BLACK LAWRENCE A 2009-02-12 US disclosed
US-7115591-B2 Pyridazinone compounds as cyclooxygenase [COX] 2 inhibitorsfor gastrointestinal disorders ABBOTT LABORATORIES (US) 2006-10-03 US disclosed
US-7001895-B2 Prostaglandin endoperoxide H synthase biosynthesis inhibitors ABBOTT LABORATORIES (US) 2006-02-21 US disclosed
US-20040158064-A1 Prostaglandin endoperoxide H synthase biosynthesis inhibitors BLACK LAWRENCE A (US) 2004-08-12 US disclosed
US-20030225276-A1 Prostaglandin endoperoxide H synthase biosynthesis inhibitors BLACK LAWRENCE A (US) 2003-12-04 US disclosed
US-20020028938-A1 Prostaglandin endoperoxide H synthase biosynthesis inhibitors BLACK LAWRENCE A (US) 2002-03-07 US disclosed
EP-1124804-A1 PROSTAGLANDIN ENDOPEROXIDE H SYNTHASE BIOSYNTHESIS INHIBITORS ABBOTT LABORATORIES (US) 2001-08-22 EP disclosed
WO-2000024719-A1 PROSTAGLANDIN ENDOPEROXIDE H SYNTHASE BIOSYNTHESIS INHIBITORS ABBOTT LABORATORIES (US) 2000-05-04 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 (4 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-20040158064-A1 Prostaglandin endoperoxide H synthase biosynthesis inhibitors PTGS1, PTGIS, PTGS2 PTGS2 3/4885HTT 4826/4885ALDH1A1 277/4885
US-20020028938-A1 Prostaglandin endoperoxide H synthase biosynthesis inhibitors PTGS1, PTGIS, PTGS2 PTGS2 3/4885HTT 4802/4885ALDH1A1 286/4885
US-20090042888-A1 Prostaglandin endoperoxide H synthase biosynthesis inhibitors PTGIS, PTGS1, PTGS2 PTGS2 3/4885HTT 4796/4885ALDH1A1 276/4885
US-20030225276-A1 Prostaglandin endoperoxide H synthase biosynthesis inhibitors PTGS1, PTGIS, PTGS2 PTGS2 3/4885HTT 4802/4885ALDH1A1 286/4885

“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.