SCHEMBL6989727

SCHEMBL6989727

O=S1(=O)NCC2(OCCO2)c2ccccc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 1/20 0.42
KMT2A Q03164 4/20 0.35
MEN1 O00255 3/20 0.35
POLB P06746 1/20 0.35
GAA P10253 1/20 0.35
MAPK1 P28482 1/20 0.35
CA12 O43570 2/20 0.33
CA1 P00915 2/20 0.33
CA2 P00918 2/20 0.33
CA4 P22748 2/20 0.33
CA7 P43166 2/20 0.33
CA9 Q16790 2/20 0.33
LMNA P02545 2/20 0.33
GRIA2 P42262 1/20 0.33
KDM4E B2RXH2 1/20 0.33
USP2 O75604 1/20 0.33
BCHE P06276 1/20 0.33
CA6 P23280 1/20 0.33
CA5A P35218 1/20 0.33
CA14 Q9ULX7 1/20 0.33

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
SCHEMBL6998825 0.94 GAA (0.43) KEAP1KMT2AMEN1POLBGAA
SCHEMBL6995838 0.78 CA2 (0.41) POLBCA12CA1CA2CA4
SCHEMBL6995387 0.78 CHEK1 (0.40) CA12CA1CA2CA4CA7
SCHEMBL7110316 0.76 RET (0.41) KEAP1CA12CA1CA2CA4
SCHEMBL6999816 0.70 KEAP1 (0.36) KEAP1KMT2AMEN1POLBCA12
SCHEMBL6988737 0.67 KEAP1 (0.33) KEAP1KMT2AMEN1GAACA12
SCHEMBL12603526 0.66 GRIA1 (0.40) GRIA2
SCHEMBL21713817 0.65 KEAP1 (0.47) KEAP1KMT2AMEN1CA12CA1
SCHEMBL20269442 0.63 KEAP1 (0.50) KEAP1KMT2AMEN1CA12CA1
SCHEMBL6999953 0.63 TDP1 (0.33) KMT2AMEN1LMNAALDH1A1

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 7 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
EP-0686632-B1 BENZOTHIAZINE DERIVATIVE DAIICHI SUNTORY PHARMA CO LTD (JP) 2003-08-06 EP 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-0686632-A1 BENZOTHIAZINE DERIVATIVE SUNTORY LIMITED (JP) 1995-12-13 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 KEAP1 474/4885KMT2A 1497/4885MEN1 2318/4885

“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.