SCHEMBL5852695

SCHEMBL5852695

O=C(CCNS(=O)(=O)c1cc[nH]c1)OCc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.45
PKM P14618 1/20 0.43
ALDH1A1 P00352 3/20 0.42
CA12 O43570 2/20 0.42
CA9 Q16790 2/20 0.42
MAPT P10636 1/20 0.42
CA7 P43166 1/20 0.42
CA14 Q9ULX7 1/20 0.42
MAPK1 P28482 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
GAA P10253 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
MMP2 P08253 2/20 0.40
CASP1 P29466 1/20 0.40
ADAMTS4 O75173 1/20 0.40
MMP13 P45452 1/20 0.40
MMP14 P50281 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
SCHEMBL5853427 0.88 PKM (0.56) LMNAPKMALDH1A1CA12CA9
SCHEMBL5851824 0.79 ATM (0.52) LMNAALDH1A1MAPTGAAMMP2
SCHEMBL6773139 0.75 PRSS1 (0.50) LMNAALDH1A1MAPTMAPK1L3MBTL1
SCHEMBL8577697 0.72 RAB9A (0.64) LMNAALDH1A1CA12CA9MAPT
SCHEMBL27245265 0.72 LMNA (0.59) LMNAPKMALDH1A1MAPTGAA
SCHEMBL13323438 0.72 ALDH1A1 (0.61) LMNAALDH1A1MAPTMAPK1L3MBTL1
SCHEMBL7471734 0.72 PKM (0.72) LMNAPKMALDH1A1MAPTMAPK1
SCHEMBL8574580 0.71 RAB9A (0.65) LMNAALDH1A1CA12CA9L3MBTL1
SCHEMBL2705227 0.71 ALDH1A1 (0.56) LMNAPKMALDH1A1MAPK1KMT2A
SCHEMBL19743611 0.71 LMNA (0.57) LMNAPKMALDH1A1CA12CA9

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7057036-B2 Pyrrolothiazine and pyrrolothiazepine compounds having serotonin-2 receptor antagonistic and alpha-1-blocking action DAIICHI SUNTORY PHARMA CO., LTD. (JP) 2006-06-06 US disclosed
US-20050038242-A2 PYRROLOTHIAZINE AND PYRROLOTHIAZEPHINE COMPOUNDS HAVING SEROTONIN-2 RECEPTOR ANTAGONISTIC AND ALPHA-1-BLOCKING ACTION DAIICHI SUNTORY PHARMA CO., LTD. (JP) 2005-02-17 US disclosed
US-20040127705-A1 Pyrrolothiazine and pyrrolothiazepine compounds having serotonin-2 receptor antagonistic and alpha-1-blocking action DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2004-07-01 US disclosed
US-6624314-B2 A pyrrolesulfonamide derivative or salt, useful for treating circulatory diseases such as ischemic heart diseases, cerebrovascular disturbances and peripheral circulatory disturtances DAIICHI SUNTORY PHARMA CO., LTD. (JP) 2003-09-23 US disclosed
US-6583296-B2 Pyrrolothiazine and pyrrolothiazepine compounds having serotonin-2 receptor antagonistic and α-1-blocking action DAIICHI SUNTORY PHARMA CO., LTD. (JP) 2003-06-24 US disclosed
US-20020137928-A1 Pyrrolothiazine and pyrrolothiazepine compounds having serotonin-2 receptor antagonistic and alpha-1-blocking action SUNTORY LIMITED (JP) 2002-09-26 US disclosed
US-20020040017-A1 Pyrrolothiazine and pyrrolothiazepine compounds having serotonin-2 receptor antagonistic and alpha-1-blocking action SUNTORY LIMITED (JP) 2002-04-04 US disclosed
US-6331623-B1 Pyrrolothiazine and pyrrolothiazepine compounds having serotonin-2 receptor antagonistic and alpha-1-blocking action SUNTORY LIMITED (JP) 2001-12-18 US disclosed
US-6271223-B1 CARDIOVASCULAR DISORDERS SUNTORY LIMITED (JP) 2001-08-07 US disclosed
EP-0970089-A2 PYRROLOTHIAZINE AND PYRROLOTHIAZEPINE COMPOUNDS HAVING SEROTONIN-2 RECEPTOR ANTAGONISTIC AND ALPHA-1-BLOCKING ACTION SUNTORY LIMITED (JP) 2000-01-12 EP disclosed
EP-0970088-A2 PYRROLOTHIAZINE AND PYRROLOTHIAZEPINE COMPOUNDS HAVING SEROTONIN-2 RECEPTOR ANTAGONISTIC AND ALPHA1-BLOCKING ACTION SUNTORY LIMITED (JP) 2000-01-12 EP disclosed
WO-1999033840-A2 PYRROLOTHIAZINE AND PYRROLOTHIAZEPINE COMPOUNDS HAVING SEROTONIN-2 RECEPTOR ANTAGONISTIC AND ALPHA1-BLOCKING ACTION SUNTORY LIMITED (JP) 1999-07-08 WO disclosed
WO-1999033841-A2 PYRROLOTHIAZINE AND PYRROLOTHIAZEPINE COMPOUNDS HAVING SEROTONIN-2 RECEPTOR ANTAGONISTIC AND ALPHA-1-BLOCKING ACTION SUNTORY LIMITED (JP) 1999-07-08 WO 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 (4 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-20050038242-A2 PYRROLOTHIAZINE AND PYRROLOTHIAZEPHINE COMPOUNDS HAVING SEROTONIN-2 RECEPTOR ANTAGONISTIC AND ALPHA-1-BLOCKING ACTION HTR1D, HTR1E, TPH1 LMNA 4434/4885PKM 2292/4885ALDH1A1 1544/4885
US-20040127705-A1 Pyrrolothiazine and pyrrolothiazepine compounds having serotonin-2 receptor antagonistic and alpha-1-blocking action TPH1, HTR1A, HTR1D LMNA 1497/4885PKM 1320/4885ALDH1A1 1916/4885
US-20020040017-A1 Pyrrolothiazine and pyrrolothiazepine compounds having serotonin-2 receptor antagonistic and alpha-1-blocking action TPH1, HTR1A, HTR1D LMNA 1549/4885PKM 1290/4885ALDH1A1 1887/4885
US-20020137928-A1 Pyrrolothiazine and pyrrolothiazepine compounds having serotonin-2 receptor antagonistic and alpha-1-blocking action HTR2C, HTR1A, HTR1D LMNA 1137/4885PKM 1389/4885ALDH1A1 1867/4885

“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.