SCHEMBL12589591

SCHEMBL12589591

CC(=O)C1CSC(C(C)(C)C)N1

nearest known ligand 0.32

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.32
▸ USP2 O75604 1/20 0.32
▸ GAA P10253 1/20 0.32
▸ S1PR3 Q99500 2/20 0.30
▸ KDM4E B2RXH2 1/20 0.30
▸ MAPT P10636 1/20 0.30

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
SCHEMBL2058977 0.84 ALDH1A1 (0.46) ALDH1A1USP2GAAS1PR3KDM4E
SCHEMBL2058978 0.84 ALDH1A1 (0.46) ALDH1A1USP2GAAS1PR3KDM4E
SCHEMBL2058915 0.84 ALDH1A1 (0.46) ALDH1A1USP2GAAS1PR3KDM4E
SCHEMBL10107765 0.72 — —
SCHEMBL28632721 0.69 ALDH1A1 (0.40) ALDH1A1USP2GAAS1PR3KDM4E
SCHEMBL2058680 0.69 CYP2D6 (0.37) ALDH1A1USP2GAAS1PR3KDM4E
SCHEMBL12944761 0.67 — —
SCHEMBL19293546 0.67 ALDH1A1 (0.45) ALDH1A1USP2GAAS1PR3KDM4E
SCHEMBL20403535 0.64 ALDH1A1 (0.42) ALDH1A1USP2GAAS1PR3KDM4E
SCHEMBL24088541 0.64 ALDH1A1 (0.45) ALDH1A1USP2GAAS1PR3KDM4E

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-7968605-B2 Methods for treating inflammatory disease by administering aldehydes and derivatives thereof ALFAMA—Investigação e Desenvolvimento de Produtos Farmacêuticos, Lda. (PT) 2011-06-28 — — US disclosed
US-20080026984-A1 Methods for treating inflammatory disease by administering aldehydes and derivatives thereof ALFAMA - INVESTIGACAO E DESENVOLVIMENTO DE PRODUCTOS FARMACEUTICOS LDA (PT) 2008-01-31 — — 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-20080026984-A1 Methods for treating inflammatory disease by administering aldehydes and derivatives thereof MPO, TNF, AOX1 ALDH1A1 7/4885USP2 1486/4885GAA 68/4885

“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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