SCHEMBL3085378

SCHEMBL3085378

Cc1cccc(-c2nc3sc(C)cn3c2-c2ccc3c(c2)NN(C)N3)n1

nearest known ligand 0.42

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 2/20 0.42
TGFBR1 P36897 18/20 0.38
MAPK14 Q16539 5/20 0.37
KDR P35968 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
SCHEMBL3085480 0.83 PTGS2 (0.44) PTGS2TGFBR1
SCHEMBL4866980 0.81 TGFBR1 (0.44) PTGS2TGFBR1MAPK14
SCHEMBL3091507 0.79 PTGS2 (0.42) PTGS2TGFBR1MAPK14KDR
SCHEMBL4859618 0.78 TGFBR1 (0.57) TGFBR1MAPK14
SCHEMBL4857759 0.64 PTGS2 (0.44) PTGS2TGFBR1MAPK14KDR
SCHEMBL4868431 0.62 TGFBR1 (0.57) PTGS2TGFBR1MAPK14
SCHEMBL3092632 0.62 PTGS2 (0.42) PTGS2TGFBR1MAPK14KDR
SCHEMBL4860133 0.60 TGFBR1 (0.44) TGFBR1MAPK14
SCHEMBL4860144 0.60 TGFBR1 (0.43) PTGS2TGFBR1MAPK14
SCHEMBL7836982 0.59 PTGS2 (1.00) PTGS2

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-7790741-B2 Imidazothiazoles and imidazoxazoles ABBOTT LABORATORIES (US) 2010-09-07 US claimed
EP-2068869-A2 NOVEL IMIDAZOTHIAZOLES AND IMIDAZOXAZOLES Abbott Laboratories (US) 2009-06-17 EP claimed
US-20080161341-A1 Novel imidazothiazoles and imidazoxazoles ABBVIE INC. 2008-07-03 US claimed
WO-2008063287-A2 NOVEL IMIDAZOTHIAZOLES AND IMIDAZOXAZOLES ABBOTT LABORATORIES (US) 2008-05-29 WO claimed
US-7790741-B2 Imidazothiazoles and imidazoxazoles ABBOTT LABORATORIES (US) 2010-09-07 US disclosed
EP-2068869-A2 NOVEL IMIDAZOTHIAZOLES AND IMIDAZOXAZOLES Abbott Laboratories (US) 2009-06-17 EP disclosed
US-20080161341-A1 Novel imidazothiazoles and imidazoxazoles ABBVIE INC. 2008-07-03 US disclosed
WO-2008063287-A2 NOVEL IMIDAZOTHIAZOLES AND IMIDAZOXAZOLES ABBOTT LABORATORIES (US) 2008-05-29 WO 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-20080161341-A1 Novel imidazothiazoles and imidazoxazoles MAP3K1, MAP3K19, MAP3K5 PTGS2 805/4885TGFBR1 1209/4885MAPK14 52/4885

“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.