SCHEMBL9983138

SCHEMBL9983138

CN1C(C(=O)c2cccc(C(=O)NCc3ccccc3)c2)=C(O)c2ccccc2S1(=O)=O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC2 Q92769 1/20 0.49
HDAC8 Q9BY41 1/20 0.49
HDAC6 Q9UBN7 1/20 0.49
HSD11B1 P28845 2/20 0.48
ALDH1A1 P00352 1/20 0.48
POLB P06746 2/20 0.47
MAPT P10636 1/20 0.47
USP2 O75604 2/20 0.47
LMNA P02545 1/20 0.47
KDR P35968 1/20 0.47
KDM4E B2RXH2 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
ALOX15 P16050 1/20 0.47
NFKB1 P19838 1/20 0.47
PTGS1 P23219 1/20 0.47
CYP2C19 P33261 1/20 0.47
PTGS2 P35354 1/20 0.47

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
SCHEMBL9983026 0.89 HSD11B1 (0.54) HSD11B1ALDH1A1POLBUSP2LMNA
SCHEMBL9983573 0.85 HSD11B1 (0.54) HSD11B1MAPTUSP2LMNAKDR
SCHEMBL9984157 0.85 HSD11B1 (0.55) HSD11B1ALDH1A1POLBMAPTUSP2
SCHEMBL9984806 0.84 PTGES (0.57) HSD11B1ALDH1A1POLBMAPTUSP2
SCHEMBL9983452 0.81 HSD11B1 (0.54) HSD11B1ALDH1A1POLBMAPTUSP2
SCHEMBL15673981 0.81 HSD11B1 (0.52) HSD11B1POLBMAPTUSP2LMNA
SCHEMBL9983583 0.80 HSD11B1 (0.53) HSD11B1ALDH1A1POLBMAPTUSP2
SCHEMBL9983115 0.79 HSD11B1 (0.74) HSD11B1ALDH1A1POLBMAPTUSP2
SCHEMBL9984531 0.78 HSD11B1 (0.51) HSD11B1ALDH1A1POLBMAPTUSP2
SCHEMBL9983667 0.78 HSD11B1 (0.53) HSD11B1ALDH1A1POLBMAPTUSP2

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 HDAC2 255/4885HDAC8 797/4885HDAC6 1767/4885

“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.