SCHEMBL7000186

SCHEMBL7000186

O=S1(=O)NCC(O)c2ccccc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 9/20 0.42
CA2 P00918 9/20 0.42
GRIA2 P42262 1/20 0.39
KEAP1 Q14145 1/20 0.39
PTGDR2 Q9Y5Y4 4/20 0.35
ALDH1A1 P00352 1/20 0.34
CA12 O43570 2/20 0.32
CA4 P22748 2/20 0.32
CA7 P43166 2/20 0.32
CA9 Q16790 2/20 0.32
KMT2A Q03164 2/20 0.32
KDM4E B2RXH2 1/20 0.32
USP2 O75604 1/20 0.32
LMNA P02545 1/20 0.32
BCHE P06276 1/20 0.32
CA6 P23280 1/20 0.32
CA5A P35218 1/20 0.32
CA14 Q9ULX7 1/20 0.32
CA5B Q9Y2D0 1/20 0.32
PTGES O14684 1/20 0.32

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
SCHEMBL10192516 0.78 CA1 (0.42) CA1CA2GRIA2KEAP1PTGDR2
SCHEMBL16831620 0.78 CA1 (0.63) CA1CA2GRIA2KEAP1PTGDR2
SCHEMBL6994177 0.74 CA1 (0.43) CA1CA2GRIA2KEAP1PTGDR2
SCHEMBL16831998 0.74 CA1 (0.43) CA1CA2GRIA2KEAP1PTGDR2
SCHEMBL1802450 0.73 CA1 (0.39) CA1CA2GRIA2KEAP1ALDH1A1
SCHEMBL1802448 0.73 CA1 (0.39) CA1CA2GRIA2KEAP1ALDH1A1
SCHEMBL1802447 0.73 CA1 (0.39) CA1CA2GRIA2KEAP1ALDH1A1
SCHEMBL10858571 0.71 SLC6A2 (0.38) CA2PTGDR2ALDH1A1CA5A
SCHEMBL10904632 0.71 ALDH1A1 (0.43) CA1CA2PTGDR2ALDH1A1CA12
SCHEMBL7508842 0.68 CA1 (0.34) CA1CA2

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 CA1 4429/4885CA2 2081/4885GRIA2 1108/4885

“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.