SCHEMBL7301734

SCHEMBL7301734

CCOC(=O)c1csc(NC(=O)NCc2ccccc2)n1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 7/20 0.67
RAB9A P51151 5/20 0.67
NPC1 O15118 3/20 0.67
LMNA P02545 3/20 0.61
GAA P10253 2/20 0.61
CYP1A2 P05177 1/20 0.60
CYP2C19 P33261 1/20 0.60
L3MBTL1 Q9Y468 1/20 0.59
TDP1 Q9NUW8 1/20 0.58
KDM4E B2RXH2 3/20 0.58
HSP90AA1 P07900 2/20 0.58
MAPT P10636 2/20 0.57
NAMPT P43490 1/20 0.57
MEN1 O00255 1/20 0.57
KMT2A Q03164 1/20 0.57
ROCK2 O75116 1/20 0.57
ROCK1 Q13464 1/20 0.57
MAPK1 P28482 1/20 0.55
ALDH1A1 P00352 2/20 0.53
EGFR P00533 1/20 0.53

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
SCHEMBL10466253 0.89 ROCK2 (0.55) SMN1; SMN2RAB9ANPC1LMNAGAA
SCHEMBL15145661 0.86 PPID (0.60) SMN1; SMN2RAB9ANPC1LMNAGAA
SCHEMBL10467196 0.85 SMN1; SMN2 (0.66) SMN1; SMN2RAB9ANPC1LMNAGAA
SCHEMBL7146192 0.85 RAB9A (0.60) SMN1; SMN2RAB9ANPC1LMNAGAA
SCHEMBL6880276 0.84 ROCK2 (0.65) L3MBTL1ROCK2ROCK1
SCHEMBL354643 0.84 L3MBTL1 (0.59) SMN1; SMN2RAB9ANPC1LMNAGAA
SCHEMBL18595010 0.83 ROCK2 (0.59) SMN1; SMN2RAB9ANPC1GAAROCK2
SCHEMBL4875670 0.82 SMN1; SMN2 (0.69) SMN1; SMN2RAB9ANPC1LMNAGAA
SCHEMBL6316630 0.82 ROCK2 (0.62) NAMPTROCK2ROCK1
Urea SCHEMBL4725120 0.81 L3MBTL1 (0.56) SMN1; SMN2RAB9ANPC1LMNAGAA

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 16 patents. 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
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
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-6100282-A Thiazole derivatives HOFFMAN-LA ROCHE INC. (US) 2000-08-08 US 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 SMN1; SMN2 3186/4885RAB9A 1440/4885NPC1 987/4885
US-20150038523-A1 INTEGRIN ANTAGONIST CONJUGATES FOR TARGETED DELIVERY TO CELLS EXPRESSING ALPHA-V-BETA-3 ITGB3, ITGAV, ITGB1 SMN1; SMN2 1571/4885RAB9A 1131/4885NPC1 1531/4885

“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.