SCHEMBL9983440

SCHEMBL9983440

CN1C(C(=O)c2cccc(Br)c2)=C(O)c2ccccc2S1(=O)=O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 2/20 0.56
MAPT P10636 6/20 0.55
TP53 P04637 2/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
POLB P06746 3/20 0.51
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
USP2 O75604 2/20 0.48
LMNA P02545 1/20 0.48
KDR P35968 1/20 0.48
CYP3A4 P08684 3/20 0.48
CYP2C9 P11712 3/20 0.48
CYP2C19 P33261 3/20 0.48
KDM4E B2RXH2 2/20 0.48
CYP1A2 P05177 1/20 0.48
CYP2D6 P10635 1/20 0.48
ALOX15 P16050 1/20 0.48
NFKB1 P19838 1/20 0.48
PTGS1 P23219 1/20 0.48
PTGS2 P35354 1/20 0.48

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
SCHEMBL9984157 0.88 HSD11B1 (0.55) HSD11B1MAPTTP53SMN1; SMN2POLB
SCHEMBL9983452 0.86 HSD11B1 (0.54) HSD11B1MAPTTP53SMN1; SMN2POLB
SCHEMBL9983645 0.85 HSD11B1 (0.53) HSD11B1MAPTSMN1; SMN2POLBUSP2
SCHEMBL9983583 0.85 HSD11B1 (0.53) HSD11B1MAPTSMN1; SMN2POLBUSP2
SCHEMBL9983832 0.85 PTGES (0.53) HSD11B1MAPTTP53SMN1; SMN2POLB
SCHEMBL9983667 0.85 HSD11B1 (0.53) HSD11B1MAPTSMN1; SMN2POLBUSP2
SCHEMBL9983115 0.84 HSD11B1 (0.74) HSD11B1MAPTTP53SMN1; SMN2POLB
SCHEMBL9984531 0.83 HSD11B1 (0.51) HSD11B1MAPTTP53SMN1; SMN2POLB
SCHEMBL9983573 0.83 HSD11B1 (0.54) HSD11B1MAPTUSP2LMNAKDR
SCHEMBL9983026 0.83 HSD11B1 (0.54) HSD11B1POLBUSP2LMNAKDR

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 HSD11B1 1/4885MAPT 4086/4885TP53 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.