SCHEMBL2058915

SCHEMBL2058915

CC(C)(C)C1NC(C(=O)O)CS1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 9/20 0.46
▸ USP2 O75604 1/20 0.46
▸ GAA P10253 1/20 0.46
▸ KDM4E B2RXH2 7/20 0.44
▸ MAPT P10636 5/20 0.44
▸ S1PR3 Q99500 3/20 0.44
▸ HSD17B10 Q99714 1/20 0.41
▸ BLM P54132 3/20 0.39
▸ CYP2D6 P10635 2/20 0.39
▸ LMNA P02545 2/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ ALOX15 P16050 2/20 0.39
▸ TSHR P16473 1/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ THRB P10828 1/20 0.39
▸ PMP22 Q01453 1/20 0.39
▸ POLB P06746 2/20 0.38

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
SCHEMBL2058978 1.00 ALDH1A1 (0.46) ALDH1A1USP2GAAKDM4EMAPT
SCHEMBL2058977 1.00 ALDH1A1 (0.46) ALDH1A1USP2GAAKDM4EMAPT
SCHEMBL26118933 1.00 ALDH1A1 (0.46) ALDH1A1USP2GAAKDM4EMAPT
SCHEMBL12589591 0.84 ALDH1A1 (0.32) ALDH1A1USP2GAAKDM4EMAPT
SCHEMBL19293546 0.82 ALDH1A1 (0.45) ALDH1A1USP2GAAKDM4EMAPT
SCHEMBL2058680 0.81 CYP2D6 (0.37) ALDH1A1USP2GAAKDM4EMAPT
SCHEMBL2058966 0.81 CYP2D6 (0.37) ALDH1A1USP2GAAKDM4EMAPT
SCHEMBL2058429 0.79 KMT2A (0.38) ALDH1A1KDM4EKMT2A
SCHEMBL2058970 0.79 KMT2A (0.38) ALDH1A1KDM4EKMT2A
SCHEMBL24088541 0.78 ALDH1A1 (0.45) ALDH1A1USP2GAAKDM4EMAPT

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 20 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-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-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
EP-2099439-A2 METHODS FOR TREATING INFLAMMATORY DISEASE BY ADMINISTERING ALDEHYDES AND DERIVATIVES THEREOF ALFAMA - INVESTIGAÇÃO E DESENVOLVIMENTO DE PRODUTO (PT) 2009-09-16 — — EP disclosed
WO-2008069688-A2 METHODS FOR TREATING INFLAMMATORY DISEASE BY ADMINISTERING ALDEHYDES AND DERIVATIVES THEREOF ALFAMA - INVESTIGAÇÃO E DESENVOLVIMENTO DE PRODUTOS FARMACÊUTICOS LDA (PT) 2008-06-12 — — WO disclosed
WO-2008069688-A2 METHODS FOR TREATING INFLAMMATORY DISEASE BY ADMINISTERING ALDEHYDES AND DERIVATIVES THEREOF ALFAMA - INVESTIGAÇÃO E DESENVOLVIMENTO DE PRODUTOS FARMACÊUTICOS LDA (PT) 2008-06-12 — — WO 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
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
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
US-20070219120-A1 Methods for treating inflammatory disease by administering aldehydes and derivatives thereof ALFAMA - INVESTIGACAO E DESENVOLVIMENTO DE PRODUCTOS FARMACEUTICOS LDA (PT) 2007-09-20 — — US disclosed
US-20070219120-A1 Methods for treating inflammatory disease by administering aldehydes and derivatives thereof ALFAMA - INVESTIGACAO E DESENVOLVIMENTO DE PRODUCTOS FARMACEUTICOS LDA (PT) 2007-09-20 — — US disclosed
US-20070219120-A1 Methods for treating inflammatory disease by administering aldehydes and derivatives thereof ALFAMA - INVESTIGACAO E DESENVOLVIMENTO DE PRODUCTOS FARMACEUTICOS LDA (PT) 2007-09-20 — — US disclosed
US-20070112216-A1 Method for producing chiral mercapto amino acids DSM FINE CHEMICALS AUSTRIA NFG GMBH & CO KG (AT) 2007-05-17 — — US disclosed
US-6894170-B2 Process for the preparation of substituted thiazolines and their intermediates DSM FINE CHEMICALS AUSTRIA NFG GMBH & CO KG (AT) 2005-05-17 — — US disclosed
US-20050101782-A1 Process for the preparation of substituted thiazolines and their intermediates KRICH SYLVIA (AT) 2005-05-12 — — US disclosed
US-20030186958-A1 Heterocyclic metalloprotease inhibitors THE PROCTER & GAMBLE COMPANY 2003-10-02 — — US disclosed
US-20030088105-A1 Process for the preparation of substituted thiazolines and their intermediates DSM FINE CHEMICALS AUSTRIA NFG GMBH & COKG (AT) 2003-05-08 — — US disclosed
US-6545038-B1 N-substituted 3-oxyaminocarbonyl-1,4-oxazonine or -thiazonine derivatives THE PROCTER & GAMBLE COMPANY 2003-04-08 — — US disclosed
EP-0925287-B1 HETEROCYCLIC METALLOPROTEASE INHIBITORS PROCTER & GAMBLE (US) 2003-01-15 — — EP disclosed
US-6166005-A Heterocyclic metalloprotease inhibitors THE PROCTER & GAMBLE COMPANY 2000-12-26 — — 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 (6 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-20030186958-A1 Heterocyclic metalloprotease inhibitors MMP9, ADAM17, ADAM9 ALDH1A1 445/4885USP2 1178/4885GAA 86/4885
US-20030088105-A1 Process for the preparation of substituted thiazolines and their intermediates CBR1, RCOR1, MT-CO1 ALDH1A1 106/4885USP2 4088/4885GAA 4272/4885
US-20080026984-A1 Methods for treating inflammatory disease by administering aldehydes and derivatives thereof MPO, TNF, AOX1 ALDH1A1 7/4885USP2 1486/4885GAA 68/4885
US-20070112216-A1 Method for producing chiral mercapto amino acids CPN1, AKR1C3, AHCY ALDH1A1 605/4885USP2 908/4885GAA 2457/4885
US-20050101782-A1 Process for the preparation of substituted thiazolines and their intermediates CBR1, CBR3, MT-CO1 ALDH1A1 95/4885USP2 3824/4885GAA 4275/4885
US-20070219120-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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