SCHEMBL6880276

SCHEMBL6880276

O=C(NCc1ccccc1)Nc1nc(C(=O)O)cs1

nearest known ligand 0.65

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 13/20 0.65
ROCK1 Q13464 13/20 0.65
L3MBTL1 Q9Y468 1/20 0.54
MMP3 P08254 1/20 0.52
CFD P00746 1/20 0.50

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
SCHEMBL6316630 0.89 ROCK2 (0.62) ROCK2ROCK1MMP3
SCHEMBL353107 0.86 ROCK1 (0.68) ROCK2ROCK1
SCHEMBL18595010 0.86 ROCK2 (0.59) ROCK2ROCK1MMP3
SCHEMBL7141146 0.86 ROCK2 (0.59) ROCK2ROCK1MMP3
SCHEMBL7145427 0.84 ROCK2 (0.67) ROCK2ROCK1L3MBTL1
SCHEMBL7301734 0.84 SMN1; SMN2 (0.67) ROCK2ROCK1L3MBTL1
SCHEMBL525660 0.82 ALDH1A1 (0.54) L3MBTL1
SCHEMBL354603 0.82 ROCK1 (0.50) ROCK2ROCK1L3MBTL1
SCHEMBL10466253 0.82 ROCK2 (0.55) ROCK2ROCK1L3MBTL1
SCHEMBL18595025 0.82 ROCK2 (0.55) ROCK2ROCK1MMP3

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9586916-B2 Integrin antagonist conjugates for targeted delivery to cells expressing alpha-V-beta-3 HOFFMANN-LA ROCHE INC. (US) 2017-03-07 US disclosed
US-9586916-B2 Integrin antagonist conjugates for targeted delivery to cells expressing alpha-V-beta-3 HOFFMANN-LA ROCHE INC. (US) 2017-03-07 US disclosed
US-9586916-B2 Integrin antagonist conjugates for targeted delivery to cells expressing alpha-V-beta-3 HOFFMANN-LA ROCHE INC. (US) 2017-03-07 US disclosed
EP-2806899-B1 INTEGRIN ANTAGONIST CONJUGATES FOR TARGETED DELIVERY TO CELLS EXPRESSING ALPHA-V-BETA-3 HOFFMANN LA ROCHE (CH) 2016-10-19 EP disclosed
EP-2806899-B1 INTEGRIN ANTAGONIST CONJUGATES FOR TARGETED DELIVERY TO CELLS EXPRESSING ALPHA-V-BETA-3 HOFFMANN LA ROCHE (CH) 2016-10-19 EP disclosed
US-20150038523-A1 INTEGRIN ANTAGONIST CONJUGATES FOR TARGETED DELIVERY TO CELLS EXPRESSING ALPHA-V-BETA-3 HOFFMANN-LA ROCHE INC. (US) 2015-02-05 US disclosed
US-20150038523-A1 INTEGRIN ANTAGONIST CONJUGATES FOR TARGETED DELIVERY TO CELLS EXPRESSING ALPHA-V-BETA-3 HOFFMANN-LA ROCHE INC. (US) 2015-02-05 US disclosed
US-20150038523-A1 INTEGRIN ANTAGONIST CONJUGATES FOR TARGETED DELIVERY TO CELLS EXPRESSING ALPHA-V-BETA-3 HOFFMANN-LA ROCHE INC. (US) 2015-02-05 US disclosed
EP-2806899-A1 INTEGRIN ANTAGONIST CONJUGATES FOR TARGETED DELIVERY TO CELLS EXPRESSING ALPHA-V-BETA-3 F.HOFFMANN-LA ROCHE AG (CH) 2014-12-03 EP disclosed
WO-2013110578-A1 INTEGRIN ANTAGONIST CONJUGATES FOR TARGETED DELIVERY TO CELLS EXPRESSING ALPHA-V-BETA-3 F. HOFFMANN-LA ROCHE AG (CH) 2013-08-01 WO disclosed
EP-0928790-B1 Thiazole derivatives HOFFMANN LA ROCHE (CH) 2003-03-05 EP disclosed
CN-1355811-A Integrain receptor antagaonists BASF AG (DE) 2002-06-26 CN disclosed
US-6344562-B1 ANTITUMOR AGENTS HOFFMANN-LA ROCHE INC. 2002-02-05 US disclosed
US-20020010316-A1 Thiazole derivatives ALIG LEO (CH) 2002-01-24 US disclosed
US-6320054-B1 INHIBIT BINDING OF ADHESIVE PROTEINS TO THE SURFACE OF DIFFERENT TYPES F CELL AND ACCORDINGLY INFLUENCE CELL-CELL AND CELL-MATRIX INTERACTIONS. HOFFMAN-LA ROCHE INC. 2001-11-20 US disclosed
US-6297266-B1 INHIBIT THE BINDING OF ADHESIVE PROTEINS TO THE SURFACE OF DIFFERENT TYPES OF CELL AND ACCORDINGLY INFLUENCE CELL-CELL AND CELL-MATRIX INTERACTIONS. HOFFMANN-LA ROCHE INC. 2001-10-02 US disclosed
EP-1123283-A1 THIAZOLE-DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2001-08-16 EP disclosed
US-6100282-A Thiazole derivatives HOFFMAN-LA ROCHE INC. (US) 2000-08-08 US disclosed
WO-2000024724-A1 THIAZOLE-DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2000-05-04 WO disclosed
EP-0928790-A1 Thiazole derivatives F. HOFFMANN-LA ROCHE AG (CH) 1999-07-14 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 (2 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-20020010316-A1 Thiazole derivatives VCAM1, SOST, TGFB1 ROCK2 180/4885ROCK1 62/4885L3MBTL1 1072/4885
US-20150038523-A1 INTEGRIN ANTAGONIST CONJUGATES FOR TARGETED DELIVERY TO CELLS EXPRESSING ALPHA-V-BETA-3 ITGB3, ITGAV, ITGB1 ROCK2 999/4885ROCK1 892/4885L3MBTL1 1305/4885

“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.