SCHEMBL2058680

SCHEMBL2058680

CC(C)(C)C1NC(C(=O)O)CCS1

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CYP2D6 P10635 2/20 0.37
▸ LMNA P02545 2/20 0.37
▸ BLM P54132 2/20 0.37
▸ ALOX15 P16050 1/20 0.37
▸ TSHR P16473 1/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ THRB P10828 1/20 0.37
▸ PMP22 Q01453 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ ALDH1A1 P00352 2/20 0.33
▸ USP2 O75604 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ S1PR3 Q99500 2/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ MAPT P10636 1/20 0.32

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
SCHEMBL2058966 1.00 CYP2D6 (0.37) CYP2D6LMNABLMALOX15TSHR
SCHEMBL2058978 0.81 ALDH1A1 (0.46) CYP2D6LMNABLMALOX15TSHR
SCHEMBL2058977 0.81 ALDH1A1 (0.46) CYP2D6LMNABLMALOX15TSHR
SCHEMBL26118933 0.81 ALDH1A1 (0.46) CYP2D6LMNABLMALOX15TSHR
SCHEMBL2058915 0.81 ALDH1A1 (0.46) CYP2D6LMNABLMALOX15TSHR
SCHEMBL20349673 0.71 CYP2D6 (0.41) CYP2D6LMNABLMALOX15TSHR
SCHEMBL12589591 0.69 ALDH1A1 (0.32) ALDH1A1USP2GAAS1PR3KDM4E
SCHEMBL3468419 0.68 CYP2C19 (0.42) CYP2D6LMNABLMALOX15TSHR
SCHEMBL3462868 0.68 CYP2C19 (0.42) CYP2D6LMNABLMALOX15TSHR
SCHEMBL3468418 0.68 CYP2C19 (0.42) CYP2D6LMNABLMALOX15TSHR

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 12 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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 CYP2D6 1179/4885LMNA 2719/4885BLM 3519/4885
US-20070219120-A1 Methods for treating inflammatory disease by administering aldehydes and derivatives thereof MPO, TNF, AOX1 CYP2D6 1179/4885LMNA 2719/4885BLM 3519/4885

“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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