SCHEMBL9983603

SCHEMBL9983603

CN1C(C(=O)c2ccc3ccccc3c2)=C(OS(=O)(=O)c2ccc(Cl)cc2)c2ccc(F)cc2S1(=O)=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPP1 P22413 5/20 0.42
ENPP3 O14638 3/20 0.42
ENPP2 Q13822 3/20 0.38
MAPT P10636 6/20 0.36
POLB P06746 3/20 0.36
SMN1; SMN2 Q16637 4/20 0.36
TP53 P04637 3/20 0.36
KAT6A Q92794 1/20 0.36
HSD11B1 P28845 1/20 0.36
P2RY2 P41231 1/20 0.35
GPR17 Q13304 1/20 0.35
HSD17B14 Q9BPX1 1/20 0.34
LMNA P02545 1/20 0.33
HTT P42858 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
PSEN1 P49768 1/20 0.33
PSEN2 P49810 1/20 0.33
APH1B Q8WW43 1/20 0.33
NCSTN Q92542 1/20 0.33

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
SCHEMBL9983311 0.93 ENPP1 (0.43) ENPP1ENPP3ENPP2MAPTPOLB
SCHEMBL9983512 0.92 MAPT (0.45) ENPP1ENPP3ENPP2MAPTPOLB
SCHEMBL9983964 0.90 MAPT (0.46) ENPP1ENPP3ENPP2MAPTPOLB
SCHEMBL9982763 0.89 ENPP1 (0.41) ENPP1ENPP3ENPP2MAPTPOLB
SCHEMBL9983541 0.86 MAPT (0.52) MAPTPOLBSMN1; SMN2TP53HSD11B1
SCHEMBL9984079 0.82 MAPT (0.51) ENPP1ENPP3ENPP2MAPTPOLB
SCHEMBL15673666 0.82 MAPT (0.43) MAPTPOLBSMN1; SMN2TP53HSD11B1
SCHEMBL9984200 0.82 MAPT (0.56) ENPP2MAPTPOLBSMN1; SMN2TP53
SCHEMBL9983315 0.81 MAPT (0.56) MAPTPOLBSMN1; SMN2TP53HSD11B1
SCHEMBL9983938 0.81 MAPT (0.48) MAPTPOLBSMN1; SMN2TP53HSD11B1

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 ENPP1 1957/4885ENPP3 3198/4885ENPP2 4438/4885

“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.