SCHEMBL6185910

SCHEMBL6185910

CC(C)(C)C(=O)N1C[C@H](c2ccccc2)C[C@H]1C(=O)O

nearest known ligand 0.58

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ RIPK1 Q13546 8/20 0.54
▸ CCKBR P32239 4/20 0.46
▸ AGTR2 P50052 3/20 0.43
▸ HTRA1 Q92743 1/20 0.42
▸ LMNA P02545 1/20 0.42
▸ AKR1C3 P42330 1/20 0.41
▸ AKR1C1 Q04828 1/20 0.41

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
SCHEMBL6185916 1.00 RIPK1 (0.54) RIPK1CCKBRAGTR2HTRA1LMNA
SCHEMBL25363009 0.82 AKR1C3 (0.47) AGTR2AKR1C3AKR1C1
SCHEMBL6695511 0.82 AKR1C3 (0.47) AGTR2AKR1C3AKR1C1
SCHEMBL9543379 0.81 HTRA1 (0.60) HTRA1
SCHEMBL1782234 0.81 HTRA1 (0.60) HTRA1
SCHEMBL205497 0.81 HTRA1 (0.60) HTRA1
SCHEMBL4195796 0.81 HTRA1 (0.60) HTRA1
SCHEMBL13447272 0.81 RIPK1 (0.44) RIPK1CCKBRAGTR2HTRA1AKR1C3
SCHEMBL1243964 0.81 HTRA1 (0.60) HTRA1
SCHEMBL5201925 0.81 HTRA1 (0.60) HTRA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050256166-A1 Nitrogen-containing compounds ONO PHARMACEUTICAL CO., LTD. (JP) 2005-11-17 — — US disclosed
EP-1535906-A1 NITROGEN-CONTAINING COMPOUNDS ONO PHARMACEUTICAL CO., LTD. (JP) 2005-06-01 — — 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-20050256166-A1 Nitrogen-containing compounds DPP4, DPP3, DPP8 RIPK1 2128/4885CCKBR 2585/4885AGTR2 627/4885

“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.

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