SCHEMBL7140159

SCHEMBL7140159

CCCCNC(=O)Nc1nc(C(=O)NCC(=O)NC(CC(=O)O)c2ccccc2)cs1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.43
LMNA P02545 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
ITGB3 P05106 5/20 0.43
ITGAV P06756 2/20 0.43
ROCK2 O75116 2/20 0.41
ROCK1 Q13464 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
ITGA2B P08514 4/20 0.41
ITGB5 P18084 1/20 0.41
ITGB6 P18564 1/20 0.41
ADORA2A P29274 1/20 0.41
ADORA1 P30542 1/20 0.41
RAD52 P43351 1/20 0.41
SLC6A9 P48067 1/20 0.40
GAA P10253 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
SCHEMBL7139848 0.91 LMNA (0.45) SMN1; SMN2LMNANPC1RAB9AROCK2
SCHEMBL7137180 0.88 ROCK2 (0.50) SMN1; SMN2LMNAITGB3ITGAVROCK2
SCHEMBL7661542 0.86 ITGB3 (0.58) SMN1; SMN2LMNAITGB3ITGAVROCK2
SCHEMBL7144243 0.86 MEN1 (0.46) SMN1; SMN2LMNANPC1RAB9AITGB3
SCHEMBL7138653 0.82 ITGB3 (0.52) SMN1; SMN2LMNAITGB3ITGAVMEN1
Hydrochloric Acid SCHEMBL7141539 0.81 ITGB3 (0.51) SMN1; SMN2LMNAITGB3ITGAVMEN1
SCHEMBL7145393 0.81 HIF1A (0.47) SMN1; SMN2LMNANPC1RAB9AROCK2
SCHEMBL28746913 0.81 ITGB3 (0.66) SMN1; SMN2LMNAITGB3ITGAVROCK2
SCHEMBL27555935 0.80 ITGB3 (0.57) SMN1; SMN2LMNAITGB3ITGAVROCK2
SCHEMBL7136652 0.79 ITGB3 (0.54) SMN1; SMN2LMNAITGB3ITGA2BADORA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
EP-0928790-B1 Thiazole derivatives HOFFMANN LA ROCHE (CH) 2003-03-05 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
CN-1224718-A Thiazole derivatives HOFFMANN LA ROCHE (CH) 1999-08-04 CN 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 SMN1; SMN2 3186/4885LMNA 3184/4885NPC1 987/4885

“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.