SCHEMBL5764100

SCHEMBL5764100

CC(O)(C(=O)Nc1cccc2c1C(=O)c1sccc1CS2)C(F)(F)F

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PDK1 Q15118 19/20 0.44
PDK2 Q15119 19/20 0.44
PDK3 Q15120 19/20 0.44
PDK4 Q16654 19/20 0.44
ABCC9 O60706 1/20 0.37
ABCC8 Q09428 1/20 0.37
KCNJ11 Q14654 1/20 0.37
KCNJ8 Q15842 1/20 0.37

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
SCHEMBL5766316 1.00 PDK1 (0.44) PDK1PDK2PDK3PDK4ABCC9
SCHEMBL5764585 1.00 PDK1 (0.44) PDK1PDK2PDK3PDK4ABCC9
SCHEMBL13141672 0.87 CCNE2 (0.31)
SCHEMBL7833134 0.84 PDK1 (0.45) PDK1PDK2PDK3PDK4ABCC9
SCHEMBL7829272 0.84 PDK1 (0.46) PDK1PDK2PDK3PDK4
SCHEMBL7835701 0.83 PDK1 (0.48) PDK1PDK2PDK3PDK4ABCC9
SCHEMBL5766893 0.82 CCNE2 (0.43)
SCHEMBL3621875 0.82 METAP1 (0.41)
SCHEMBL7834669 0.81 PDK1 (0.43) PDK1PDK2PDK3PDK4ABCC9
SCHEMBL7820592 0.81 PDK1 (0.43) PDK1PDK2PDK3PDK4ABCC9

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
US-20100267796-A1 THERAPEUTIC AGENT FOR IRRITABLE BOWEL SYNDROME KYOWA HAKKO KOGYO CO., LTD. (JP) 2010-10-21 US disclosed
EP-0979821-B1 TRICYCLIC COMPOUNDS KYOWA HAKKO KOGYO KK (JP) 2006-09-13 EP disclosed
EP-0798288-B1 TRICICLIC COMPOUNDS KYOWA HAKKO KOGYO KK (JP) 2001-05-16 EP disclosed
US-6211227-B1 SULFUR CONTAINING TRICYCLIC COMPOUNDS KYOWA HAKKO KOGYO CO., LTD. (JP) 2001-04-03 US disclosed
EP-0979821-A1 TRICYCLIC COMPOUNDS KYOWA HAKKO KOGYO CO., LTD. (JP) 2000-02-16 EP disclosed
EP-0798288-A1 TRICICLIC COMPOUNDS KYOWA HAKKO KOGYO CO., LTD. (JP) 1997-10-01 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-20100267796-A1 THERAPEUTIC AGENT FOR IRRITABLE BOWEL SYNDROME SLC10A2, ADORA3, HRH2 PDK1 4523/4885PDK2 4239/4885PDK3 3993/4885

“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.