SCHEMBL687484

SCHEMBL687484

CNS(=O)(=O)c1ccc(SSc2ccc(S(=O)(=O)NC)cc2[N+](=O)[O-])c([N+](=O)[O-])c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VCAM1 P19320 2/20 0.65
LMNA P02545 3/20 0.56
MAPT P10636 2/20 0.56
ALDH3A1 P30838 4/20 0.53
CA2 P00918 5/20 0.53
CA1 P00915 3/20 0.53
CA12 O43570 2/20 0.53
CA9 Q16790 2/20 0.53
CA3 P07451 1/20 0.53
CA4 P22748 1/20 0.53
CA6 P23280 1/20 0.53
CA5A P35218 1/20 0.53
CA7 P43166 1/20 0.53
CA13 Q8N1Q1 1/20 0.53
CA14 Q9ULX7 1/20 0.53
CA5B Q9Y2D0 1/20 0.53
EPAS1 Q99814 1/20 0.48
ALDH1A1 P00352 3/20 0.47
CCR2 P41597 2/20 0.45
L3MBTL1 Q9Y468 1/20 0.44

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
SCHEMBL1812355 0.89 VCAM1 (0.63) VCAM1LMNAMAPTALDH3A1CA2
SCHEMBL2288074 0.85 VCAM1 (0.58) VCAM1LMNAMAPTALDH3A1CA2
SCHEMBL5026220 0.81 KMT2A (0.53) VCAM1LMNAMAPTALDH3A1CA2
SCHEMBL12067854 0.80 VCAM1 (0.69) VCAM1LMNAMAPTALDH3A1CA2
SCHEMBL1805304 0.79 VCAM1 (0.67) VCAM1LMNAMAPTALDH3A1CA2
SCHEMBL686821 0.79 VCAM1 (1.00) VCAM1LMNAMAPTALDH3A1CA2
SCHEMBL2284748 0.79 VCAM1 (0.67) VCAM1LMNAMAPTALDH3A1CA2
SCHEMBL11280979 0.79 VCAM1 (0.67) VCAM1LMNAMAPTALDH3A1CA2
SCHEMBL6515861 0.78 ALDH1A1 (0.55) VCAM1MAPTCA2CA1CA12
SCHEMBL6522348 0.78 CA2 (0.50) VCAM1MAPTCA2CA1CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9434720-B2 Pyrazolylbenzothiazole derivatives and their use as therapeutic agents DIRMIRA (CANADA), INC. (US) 2016-09-06 US disclosed
US-20140350009-A1 PYRAZOLYLBENZOTHIAZOLE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS DERMIRA (CANADA), INC. (US) 2014-11-27 US disclosed
US-8754233-B2 Pyrazolylbenzothiazole derivatives and their use as therapeutic agents DERMIRA (CANADA), INC. (US) 2014-06-17 US disclosed
US-20130237572-A1 PYRAZOLYLBENZOTHIAZOLE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS DERMIRA (CANADA), INC. (US) 2013-09-12 US disclosed
US-8410272-B2 Pyrazolylbenzothiazole derivatives and their use as therapeutic agents DERMIRA (CANADA), INC. (US) 2013-04-02 US disclosed
EP-1542997-B1 PYRAZOLYLBENZOTHIAZOLE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS DERMIRA CANADA INC (CA) 2012-02-29 EP disclosed
US-20110178126-A1 PYRAZOLYLBENZOTHIAZOLE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS Valocor Therapeutics, Inc. (CA) 2011-07-21 US disclosed
US-7847101-B2 such as (4-Benzothiazol-2-yl-1H-pyrazol-3-yl)-[2-(1H-imidazol-4-yl)-ethyl]-amine, used in the treatment of disorders associated with hyperproliferation and tissue remodelling or repair, inflammation, cell migration and invasion, and renal diseases, or as protein kinase inhibitors Valocor Therapeutics, Inc. (CA) 2010-12-07 US disclosed
US-20060247210-A1 such as (4-Benzothiazol-2-yl-1H-pyrazol-3-yl)-[2-(1H-imidazol-4-yl)-ethyl]-amine, used in the treatment of disorders associated with hyperproliferation and tissue remodelling or repair, inflammation, cell migration and invasion, and renal diseases, or as protein kinase inhibitors QLT INC. (CA) 2006-11-02 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 (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-20060247210-A1 such as (4-Benzothiazol-2-yl-1H-pyrazol-3-yl)-[2-(1H-imidazol-4-yl)-ethyl]-amine, used in the treatment of disorders associated with hyperproliferation and tissue remodelling or repair, inflammation, cell migration and invasion, and renal diseases, or as protein kinase inhibitors TST, PTK2, PTK2B VCAM1 1691/4885LMNA 4783/4885MAPT 4331/4885
US-20110178126-A1 PYRAZOLYLBENZOTHIAZOLE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS REN, PGF, PKD1 VCAM1 235/4885LMNA 3615/4885MAPT 4282/4885
US-20130237572-A1 PYRAZOLYLBENZOTHIAZOLE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS COXFA4L2, TYR, XDH VCAM1 4437/4885LMNA 4192/4885MAPT 865/4885
US-20140350009-A1 PYRAZOLYLBENZOTHIAZOLE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS COXFA4L2, TYR, XDH VCAM1 4437/4885LMNA 4192/4885MAPT 865/4885

“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.