SCHEMBL9983994

SCHEMBL9983994

CN1C(C(=O)c2cccc(-c3ccc(F)nc3)c2)=C(O)c2ccccc2S1(=O)=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGES O14684 1/20 0.46
PTGS1 P23219 3/20 0.45
PTGS2 P35354 3/20 0.45
KDM4E B2RXH2 2/20 0.45
USP2 O75604 2/20 0.45
CYP3A4 P08684 2/20 0.45
CYP2C9 P11712 2/20 0.45
CYP2C19 P33261 2/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2D6 P10635 1/20 0.45
ALOX15 P16050 1/20 0.45
NFKB1 P19838 1/20 0.45
BLM P54132 1/20 0.45
SLC22A6 Q4U2R8 1/20 0.45
SLC22A8 Q8TCC7 1/20 0.45
ABCB11 O95342 1/20 0.45
GLA P06280 1/20 0.45
EDNRA P25101 1/20 0.45
MAPK1 P28482 1/20 0.45
HSD11B1 P28845 2/20 0.44

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
SCHEMBL9983581 0.89 PTGS1 (0.48) PTGESPTGS1PTGS2KDM4EUSP2
SCHEMBL9983708 0.88 HSD11B1 (0.49) PTGESPTGS1PTGS2KDM4EUSP2
SCHEMBL9983378 0.87 PTGES (0.52) PTGESPTGS1PTGS2KDM4EUSP2
SCHEMBL9983359 0.87 HSD11B1 (0.45) PTGESPTGS1PTGS2KDM4EUSP2
SCHEMBL9983832 0.85 PTGES (0.53) PTGESPTGS1PTGS2KDM4EUSP2
SCHEMBL9983857 0.85 KMO (0.49) PTGESPTGS1PTGS2KDM4EUSP2
SCHEMBL9983628 0.83 HSD11B1 (0.49) PTGESPTGS1PTGS2KDM4EUSP2
SCHEMBL9983920 0.83 MAPT (0.54) PTGESPTGS1PTGS2KDM4EUSP2
SCHEMBL9983645 0.83 HSD11B1 (0.53) PTGS1PTGS2KDM4EUSP2CYP3A4
SCHEMBL9983379 0.83 PTGS1 (0.49) PTGESPTGS1PTGS2KDM4EUSP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9187438-B2 Derivatives of benzothiazines, preparation thereof and application thereof as drugs PIERRE FABRE MEDICAMENT (FR) 2015-11-17 US claimed
EP-2403840-B1 DERIVATIVES OF BENZOTHIAZINES, PREPARATION THEREOF AND APPLICATION THEREOF AS DRUGS PF MEDICAMENT (FR) 2014-05-14 EP claimed
US-20110319326-A1 DERIVATIVES OF BENZOTHIAZINES, PREPARATION THEREOF AND APPLICATION THEREOF AS DRUGS PIERRE FABRE MEDICAMENT (FR) 2011-12-29 US claimed
US-9187438-B2 Derivatives of benzothiazines, preparation thereof and application thereof as drugs PIERRE FABRE MEDICAMENT (FR) 2015-11-17 US disclosed
EP-2403840-B1 DERIVATIVES OF BENZOTHIAZINES, PREPARATION THEREOF AND APPLICATION THEREOF AS DRUGS PF MEDICAMENT (FR) 2014-05-14 EP disclosed
US-20110319326-A1 DERIVATIVES OF BENZOTHIAZINES, PREPARATION THEREOF AND APPLICATION THEREOF AS DRUGS PIERRE FABRE MEDICAMENT (FR) 2011-12-29 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-20110319326-A1 DERIVATIVES OF BENZOTHIAZINES, PREPARATION THEREOF AND APPLICATION THEREOF AS DRUGS HSD11B1, CYP11B1, HSD17B11 PTGES 578/4885PTGS1 135/4885PTGS2 480/4885

“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.