SCHEMBL9983553

SCHEMBL9983553

O=S1(=O)N[C]=C(O)c2c(Cl)cccc21

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RET P07949 1/20 0.51
GRK5 P34947 1/20 0.51
TYRO3 Q06418 1/20 0.51
DYRK1B Q9Y463 1/20 0.51
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA4 P22748 1/20 0.38
CA7 P43166 1/20 0.38
CA9 Q16790 1/20 0.38
CXCR2 P25025 1/20 0.32
CES1 P23141 1/20 0.32
PTGES O14684 1/20 0.31
PTGS2 P35354 1/20 0.31
TSHR P16473 1/20 0.31

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
SCHEMBL1725776 0.68 RET (1.00) RETGRK5TYRO3DYRK1BCA12
SCHEMBL6992906 0.66 RET (0.59) RETGRK5TYRO3DYRK1BCA12
SCHEMBL6996064 0.62 RET (0.49) RETGRK5TYRO3DYRK1BCA12
SCHEMBL27176638 0.60 RET (0.56) RETGRK5TYRO3DYRK1BCA12
SCHEMBL3160122 0.60 RET (0.47) RETGRK5TYRO3DYRK1BCA12
SCHEMBL23191244 0.58 RET (0.46) RETGRK5TYRO3DYRK1BCA12
SCHEMBL4149675 0.58 RET (0.46) RETGRK5TYRO3DYRK1BCA12
SCHEMBL2471569 0.58 TSHR (0.57) RETGRK5TYRO3DYRK1BCES1
SCHEMBL11093427 0.58 RET (0.45) RETGRK5TYRO3DYRK1BCA12
SCHEMBL7381362 0.57 RET (0.62) RETGRK5TYRO3DYRK1BCA12

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 3 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 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 RET 2831/4885GRK5 651/4885TYRO3 4411/4885

“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.