SCHEMBL7140672

SCHEMBL7140672

Cc1nc(NC(=N)N)sc1C(=O)NCCCCC(CC(=O)O)c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 1/20 0.51
ITGA2B P08514 1/20 0.51
SCD O00767 1/20 0.45
ALDH1A1 P00352 4/20 0.45
SMN1; SMN2 Q16637 4/20 0.45
HTT P42858 2/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2C9 P11712 1/20 0.45
NPC1 O15118 3/20 0.43
RAB9A P51151 2/20 0.43
LMNA P02545 2/20 0.43
MAPT P10636 1/20 0.43
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
POLB P06746 2/20 0.42
KDM4E B2RXH2 2/20 0.40
HPGD P15428 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
RXFP1 Q9HBX9 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
SCHEMBL7140676 1.00 ITGB3 (0.51) ITGB3ITGA2BSCDALDH1A1SMN1; SMN2
SCHEMBL7147848 0.90 ALDH1A1 (0.53) ITGB3ITGA2BSCDALDH1A1SMN1; SMN2
SCHEMBL7137170 0.85 LCK (0.58) ITGB3ITGA2BSCDALDH1A1SMN1; SMN2
SCHEMBL7137175 0.85 LCK (0.58) ITGB3ITGA2BSCDALDH1A1SMN1; SMN2
SCHEMBL7143622 0.82 ITGB3 (0.51) ITGB3ITGA2BSCDALDH1A1SMN1; SMN2
SCHEMBL7145275 0.80 ITGB3 (0.49) ITGB3ITGA2BSCDALDH1A1SMN1; SMN2
SCHEMBL7140611 0.80 ITGB3 (0.48) ITGB3ITGA2BSMN1; SMN2HTTNPC1
SCHEMBL7140617 0.80 ITGB3 (0.48) ITGB3ITGA2BSMN1; SMN2HTTNPC1
Hydrochloric Acid SCHEMBL7145741 0.79 ITGB3 (0.49) ITGB3ITGA2BSCDALDH1A1SMN1; SMN2
Ethyl Acetate SCHEMBL7141371 0.77 KIFC1 (0.46) ITGB3ITGA2BSCDALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6100282-A Thiazole derivatives HOFFMAN-LA ROCHE INC. (US) 2000-08-08 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
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 ITGB3 7/4885ITGA2B 106/4885SCD 3453/4885

“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.