SCHEMBL7144868

SCHEMBL7144868

Cc1nc(NC(=O)NCc2ccccc2)sc1C(=O)O

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LCK P06239 2/20 0.70
SCD O00767 1/20 0.65
GSK3A P49840 2/20 0.63
GSK3B P49841 2/20 0.63
NPC1 O15118 3/20 0.61
PKM P14618 1/20 0.58
TDP1 Q9NUW8 1/20 0.58
SMN1; SMN2 Q16637 4/20 0.57
RAB9A P51151 2/20 0.57
ALDH1A1 P00352 1/20 0.57
MMP3 P08254 1/20 0.53
CSNK1D P48730 2/20 0.50
CDK2 P24941 1/20 0.50
DYRK1A Q13627 1/20 0.50
HIPK4 Q8NE63 1/20 0.50
CLK4 Q9HAZ1 1/20 0.50
ATG4B Q9Y4P1 1/20 0.50
ROCK2 O75116 1/20 0.50
ROCK1 Q13464 1/20 0.50
PDE5A O76074 1/20 0.49

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
SCHEMBL7147748 0.87 NPC1 (0.69) LCKGSK3AGSK3BNPC1PKM
SCHEMBL4919866 0.83 NPC1 (0.75) LCKSCDNPC1PKMTDP1
SCHEMBL774793 0.83 LCK (1.00) LCKSCDGSK3AGSK3BNPC1
SCHEMBL3591110 0.83 SCD (0.73) LCKSCDGSK3AGSK3BNPC1
Hydrochloric Acid SCHEMBL8555706 0.82 NPC1 (0.73) LCKSCDNPC1PKMTDP1
SCHEMBL7141798 0.82 LCK (0.55) LCKSCDGSK3AGSK3BNPC1
SCHEMBL20378248 0.81 LCK (0.67) LCKNPC1PKMTDP1SMN1; SMN2
SCHEMBL3583154 0.80 SCD (0.76) LCKSCDNPC1PKMSMN1; SMN2
SCHEMBL4187231 0.79 NPC1 (0.76) SCDNPC1PKMTDP1SMN1; SMN2
SCHEMBL3585084 0.79 SCD (1.00) LCKSCDNPC1SMN1; SMN2RAB9A

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
EP-0928790-B1 Thiazole derivatives HOFFMANN LA ROCHE (CH) 2003-03-05 EP disclosed
EP-0928793-B1 Thiazole derivatives HOFFMANN LA ROCHE (CH) 2002-05-15 EP 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
US-6001855-A REACTING A THIAZOLE DERIVATIVE AND A CYCLIC AMINE DERIVATIVE; INHIBITS BINDING OF ADHESIVE PROTEINS TO THE SURFACE OF DIFFERENT TYPES OF CELL AND ACCORDINGLY INFLUENCE CELL-CELL AND CELL-MATRIX INTERACTIONS HOFFMAN-LA ROCHE INC. (US) 1999-12-14 US disclosed
EP-0928793-A1 Thiazole derivatives F. HOFFMANN-LA ROCHE AG (CH) 1999-07-14 EP 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 (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-20020010316-A1 Thiazole derivatives VCAM1, SOST, TGFB1 LCK 1715/4885SCD 3453/4885GSK3A 983/4885

“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.