SCHEMBL6995838

SCHEMBL6995838

O=S1(=O)NCC2(OCCO2)c2cc(Cl)ccc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 3/20 0.41
CA1 P00915 2/20 0.41
CHEK1 O14757 1/20 0.40
DAPK3 O43293 1/20 0.40
MAP4K4 O95819 1/20 0.40
RET P07949 1/20 0.40
PIM1 P11309 1/20 0.40
LTK P29376 1/20 0.40
GRK5 P34947 1/20 0.40
CSNK1A1 P48729 1/20 0.40
CDK8 P49336 1/20 0.40
PRKX P51817 1/20 0.40
LIMK1 P53667 1/20 0.40
CDK5 Q00535 1/20 0.40
ACVR1 Q04771 1/20 0.40
PTK2 Q05397 1/20 0.40
TYRO3 Q06418 1/20 0.40
PRKAA1 Q13131 1/20 0.40
DYRK1A Q13627 1/20 0.40
NTRK3 Q16288 1/20 0.40

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
SCHEMBL6995387 0.88 CHEK1 (0.40) CA2CA1CHEK1DAPK3MAP4K4
SCHEMBL6989727 0.78 KEAP1 (0.42) CA2CA1GRIA2POLBCA12
SCHEMBL6998825 0.73 GAA (0.43) CA2CA1GRIA2POLBCA12
SCHEMBL7110316 0.72 RET (0.41) CA2CA1RETGRK5TYRO3
SCHEMBL12603526 0.71 GRIA1 (0.40) GRIA2GRIA1GRIA3GRIA4ABCC8
SCHEMBL6995459 0.67 POLB (0.33) GRIA2GRIA1GRIA3GRIA4POLB
SCHEMBL18064370 0.67 CHEK1 (0.41) CA2CA1CHEK1DAPK3MAP4K4
SCHEMBL12603524 0.67
SCHEMBL23191245 0.64 GRIA2 (0.46) CA2CA1CHEK1DAPK3MAP4K4
SCHEMBL30489052 0.63 CA2 (0.53) CA2CA1CHEK1DAPK3MAP4K4

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
EP-0749967-B1 Substituted benzothiazine derivative SUNTORY LTD (JP) 2003-01-22 EP 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

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 CA2 2081/4885CA1 4429/4885CHEK1 2647/4885

“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.