SCHEMBL9984079

SCHEMBL9984079

CN1C(C(=O)c2ccc3ccccc3c2)=C(OS(=O)(=O)c2ccccc2)c2ccccc2S1(=O)=O

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.51
POLB P06746 3/20 0.51
TP53 P04637 4/20 0.50
HSD11B1 P28845 3/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
ENPP2 Q13822 2/20 0.44
ENPP3 O14638 1/20 0.44
ENPP1 P22413 1/20 0.44
CYP3A4 P08684 2/20 0.41
CYP2C9 P11712 2/20 0.41
CYP2C19 P33261 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
ALDH1A1 P00352 1/20 0.41
RECQL P46063 1/20 0.41

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
SCHEMBL9984200 0.93 MAPT (0.56) MAPTPOLBTP53HSD11B1SMN1; SMN2
SCHEMBL9983964 0.92 MAPT (0.46) MAPTPOLBTP53HSD11B1SMN1; SMN2
SCHEMBL9983705 0.90 MAPT (0.43) MAPTPOLBTP53HSD11B1SMN1; SMN2
SCHEMBL9983311 0.89 ENPP1 (0.43) MAPTPOLBTP53HSD11B1SMN1; SMN2
SCHEMBL9983662 0.84 MAPT (0.55) MAPTPOLBTP53HSD11B1SMN1; SMN2
SCHEMBL9983512 0.83 MAPT (0.45) MAPTPOLBTP53HSD11B1SMN1; SMN2
SCHEMBL9983603 0.82 ENPP1 (0.42) MAPTPOLBTP53HSD11B1SMN1; SMN2
SCHEMBL9983349 0.82 HSD11B1 (0.59) MAPTPOLBTP53HSD11B1SMN1; SMN2
SCHEMBL12041852 0.82 HSD11B1 (0.67) MAPTPOLBTP53HSD11B1SMN1; SMN2
SCHEMBL12041807 0.82 MAPT (0.74) MAPTPOLBTP53HSD11B1SMN1; SMN2

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-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
EP-2403840-B1 DERIVATIVES OF BENZOTHIAZINES, PREPARATION THEREOF AND APPLICATION THEREOF AS DRUGS PF MEDICAMENT (FR) 2014-05-14 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-20110319326-A1 DERIVATIVES OF BENZOTHIAZINES, PREPARATION THEREOF AND APPLICATION THEREOF AS DRUGS HSD11B1, CYP11B1, HSD17B11 MAPT 4086/4885POLB 2821/4885TP53 3851/4885

“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.