SCHEMBL7110316

SCHEMBL7110316

O=S1(=O)NCC2(OCCO2)c2c(Cl)cccc21

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
RET P07949 1/20 0.41
GRK5 P34947 1/20 0.41
TYRO3 Q06418 1/20 0.41
DYRK1B Q9Y463 1/20 0.41
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA4 P22748 1/20 0.39
CA7 P43166 1/20 0.39
CA9 Q16790 1/20 0.39
KEAP1 Q14145 1/20 0.36

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
SCHEMBL6989727 0.76 KEAP1 (0.42) CA12CA1CA2CA4CA7
SCHEMBL6995838 0.72 CA2 (0.41) RETGRK5TYRO3DYRK1BCA12
SCHEMBL6998825 0.71 GAA (0.43) CA12CA1CA2CA4CA7
SCHEMBL23191244 0.66 RET (0.46) RETGRK5TYRO3DYRK1BCA12
SCHEMBL7684565 0.64 CA12 (0.45) RETGRK5TYRO3DYRK1BCA12
SCHEMBL12603526 0.63 GRIA1 (0.40)
SCHEMBL30452205 0.62 KMT2A (0.51)
SCHEMBL6992906 0.62 RET (0.59) RETGRK5TYRO3DYRK1BCA12
SCHEMBL12603524 0.61
SCHEMBL1725776 0.58 RET (1.00) 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6664251-B2 Serotonin receptor antagonist; treating cardiovascular disorder DAIICHI SUNTORY PHARMA CO., LTD. (JP) 2003-12-16 US disclosed
US-20030078256-A1 Benzothiazine derivative SUNTORY LIMITED (JP) 2003-04-24 US disclosed
US-6316442-B1 TREATMENT OF HEART DISEASE AND CEREBROVASCULAR DISTURBANCES SUNTORY LIMITED (JP) 2001-11-13 US disclosed
US-6001827-A Benzothiazine derivative SUNTORY LIMITED (JP) 1999-12-14 US disclosed
US-5874429-A ANTIISCHEMIC AGENTS; CEREBROVASCULAR DISORDERS; CIRCULATORY IDSORDERS SUNTORY LIMITED (JP) 1999-02-23 US disclosed
EP-0749967-A1 Substituted benzothiazine derivative SUNTORY LIMITED (JP) 1996-12-27 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-20030078256-A1 Benzothiazine derivative TPH2, ADRB2, TPH1 RET 1738/4885GRK5 269/4885TYRO3 428/4885

“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.