SCHEMBL4349015

SCHEMBL4349015

CC(C)C(=O)N(C(=O)C1CCC(C(F)(F)F)CC1)c1cc(-c2ccc(NC(=O)c3cscn3)cc2)sc1C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PI4KB Q9UBF8 1/20 0.34
CYP2C9 P11712 5/20 0.34
CYP2C8 P10632 3/20 0.34
DGAT1 O75907 5/20 0.33
GRM4 Q14833 2/20 0.33
ROCK2 O75116 1/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.31
CYP2D6 P10635 1/20 0.31

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
SCHEMBL2428545 0.90 DGAT1 (0.36) PI4KBCYP2C9CYP2C8DGAT1GRM4
SCHEMBL2428548 0.90 DGAT1 (0.36) PI4KBCYP2C9CYP2C8DGAT1GRM4
SCHEMBL2429373 0.85 GRM4 (0.34) PI4KBCYP2C9CYP2C8DGAT1GRM4
SCHEMBL2429376 0.85 GRM4 (0.34) PI4KBCYP2C9CYP2C8DGAT1GRM4
SCHEMBL2431764 0.84 GRM4 (0.33) PI4KBCYP2C9DGAT1GRM4ROCK2
SCHEMBL2434437 0.84 GRM4 (0.33) PI4KBCYP2C9DGAT1GRM4ROCK2
SCHEMBL2433901 0.82 GRM4 (0.36) PI4KBCYP2C9CYP2C8DGAT1GRM4
SCHEMBL2433905 0.82 GRM4 (0.36) PI4KBCYP2C9CYP2C8DGAT1GRM4
SCHEMBL2428165 0.80 DGAT1 (0.36) DGAT1GRM4ROCK2
SCHEMBL2428166 0.80 DGAT1 (0.36) DGAT1GRM4ROCK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090274655-A1 2-CARBOXY THIOPHENE DERIVATIVES AS ANTI VIRAL AGENTS SMITHKLINE BEECHAM CORPORATION 2009-11-05 US 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-20090274655-A1 2-CARBOXY THIOPHENE DERIVATIVES AS ANTI VIRAL AGENTS EIF2AK2, HAVCR2, GTF3C2 PI4KB 3153/4885CYP2C9 846/4885CYP2C8 273/4885

“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.