SCHEMBL2058970

SCHEMBL2058970

COC(=O)[C@@H]1CSC(C(C)(C)C)N1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 1/20 0.38
▸ CHRNB2 P17787 3/20 0.34
▸ CHRNA4 P43681 3/20 0.34
▸ CHRNB4 P30926 2/20 0.34
▸ CHRNA3 P32297 2/20 0.34
▸ CHRNA7 P36544 1/20 0.34
▸ HRH3 Q9Y5N1 1/20 0.33
▸ CHRM2 P08172 1/20 0.33
▸ CHRM4 P08173 1/20 0.33
▸ CHRM3 P20309 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33

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
SCHEMBL2058429 1.00 KMT2A (0.38) KMT2ACHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL30608409 1.00 KMT2A (0.38) KMT2ACHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL14572918 1.00 KMT2A (0.38) KMT2ACHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL2058915 0.79 ALDH1A1 (0.46) KMT2AKDM4EALDH1A1
SCHEMBL2058978 0.79 ALDH1A1 (0.46) KMT2AKDM4EALDH1A1
SCHEMBL12589591 0.79 ALDH1A1 (0.32) KDM4EALDH1A1
SCHEMBL2058977 0.79 ALDH1A1 (0.46) KMT2AKDM4EALDH1A1
SCHEMBL26118933 0.79 ALDH1A1 (0.46) KMT2AKDM4EALDH1A1
SCHEMBL11358106 0.77 KMT2A (0.42) KMT2ACHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL7319816 0.76 KMT2A (0.36) KMT2ACHRNB2CHRNA4CHRNB4CHRNA3

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 5 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
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
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

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 KMT2A 3726/4885CHRNB2 3627/4885CHRNA4 4082/4885
US-20070219120-A1 Methods for treating inflammatory disease by administering aldehydes and derivatives thereof MPO, TNF, AOX1 KMT2A 3726/4885CHRNB2 3627/4885CHRNA4 4082/4885

“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.

Send feedback