SCHEMBL7186160

SCHEMBL7186160

CCCCC(C(=O)O)c1cscn1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 2/20 0.40
CTSK P43235 1/20 0.37
CA2 P00918 1/20 0.37
MAPK1 P28482 1/20 0.37
KDM4E B2RXH2 1/20 0.36
CPB1 P15086 1/20 0.36
CPB2 Q96IY4 1/20 0.36
SLC1A3 P43003 1/20 0.36
SLC1A2 P43004 1/20 0.36
SLC1A1 P43005 1/20 0.36
PKM P14618 1/20 0.34
ALOX5 P09917 2/20 0.34
PTGES O14684 1/20 0.34
CHRM1 P11229 1/20 0.33
AKR1A1 P14550 1/20 0.33
CHRM3 P20309 1/20 0.33
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
ADRA1A P35348 1/20 0.33
HRH1 P35367 1/20 0.33

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
SCHEMBL907933 0.83 KDM4E (0.40) KDM4EPKMLMNA
Hydrochloric Acid SCHEMBL6243425 0.82 KDM4E (0.39) KDM4EPKMLMNA
SCHEMBL18672394 0.76 ALDH1A1 (0.35) CTSKHRH1
SCHEMBL14215420 0.74 PDE5A (0.46) PDE5ACA2MAPK1KDM4ESLC1A3
SCHEMBL23395171 0.73 ALDH1A1 (0.33) CTSKKDM4E
SCHEMBL11983585 0.73 KDM4E (0.36) MAPK1KDM4EPKMLMNA
SCHEMBL31555041 0.73 PDE5A (0.47) PDE5ACA2MAPK1SLC1A3SLC1A2
SCHEMBL907621 0.71 KDM4E (0.44) MAPK1KDM4EPKMALOX5HTR2A
SCHEMBL23565497 0.70 CA2 (0.34) CTSKCA2KDM4ELMNAGPR84
SCHEMBL22610222 0.70 MAPK1 (0.41) CA2MAPK1ALOX5PTGESTDP1

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 6 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
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 PDE5A 4282/4885CTSK 2742/4885CA2 3392/4885

“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.