SCHEMBL3508311

SCHEMBL3508311

COc1ccc(CN(C(=O)CBr)[C@@H](C)CO)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.47
▸ HTT P42858 1/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ TDP1 Q9NUW8 1/20 0.44
▸ GSK3B P49841 1/20 0.43
▸ PSEN1 P49768 1/20 0.43
▸ PSEN2 P49810 1/20 0.43
▸ APH1B Q8WW43 1/20 0.43
▸ NCSTN Q92542 1/20 0.43
▸ APH1A Q96BI3 1/20 0.43
▸ PSENEN Q9NZ42 1/20 0.43
▸ LDHA P00338 1/20 0.42
▸ APLNR P35414 1/20 0.41
▸ ACHE P22303 2/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ ALOX5 P09917 1/20 0.40
▸ BCHE P06276 1/20 0.40
▸ USP2 O75604 1/20 0.40
▸ TSHR P16473 1/20 0.40

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
SCHEMBL15058845 1.00 ALDH1A1 (0.47) ALDH1A1HTTSMN1; SMN2TDP1GSK3B
SCHEMBL1458166 1.00 ALDH1A1 (0.47) ALDH1A1HTTSMN1; SMN2TDP1GSK3B
SCHEMBL15209900 0.85 LDHA (0.50) ALDH1A1HTTSMN1; SMN2TDP1PSEN1
SCHEMBL25035714 0.77 TSHR (0.57) ALDH1A1HTTSMN1; SMN2TDP1GSK3B
SCHEMBL29234164 0.76 LPAR1 (0.48) ALDH1A1HTTSMN1; SMN2TDP1GSK3B
SCHEMBL27017044 0.76 SMN1; SMN2 (0.41) ALDH1A1HTTSMN1; SMN2TDP1PSEN1
SCHEMBL15215172 0.76 ACHE (0.48) ALDH1A1TDP1PSEN1PSEN2APH1B
SCHEMBL20472138 0.75 LDHA (0.45) ALDH1A1HTTSMN1; SMN2TDP1PSEN1
SCHEMBL17271883 0.74 HTT (0.47) ALDH1A1HTTSMN1; SMN2TDP1LDHA
SCHEMBL17605407 0.74 JAK1 (0.41) TDP1MEN1KMT2ATSHRYAP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8367706-B2 Inhibitors of janus kinases MERCK SHARP & DOHME CORP. (US) 2013-02-05 — — US disclosed
US-8367706-B2 Inhibitors of janus kinases MERCK SHARP & DOHME CORP. (US) 2013-02-05 — — US disclosed
US-8367706-B2 Inhibitors of janus kinases MERCK SHARP & DOHME CORP. (US) 2013-02-05 — — US disclosed
EP-2166846-B1 INHIBITORS OF JANUS KINASES MERCK SHARP & DOHME (US) 2012-10-17 — — EP disclosed
EP-2166846-B1 INHIBITORS OF JANUS KINASES MERCK SHARP & DOHME (US) 2012-10-17 — — EP disclosed
US-20100256097-A1 INHIBITORS OF JANUS KINASES MERCK SHARP & DOHME LLC 2010-10-07 — — US disclosed
US-20100256097-A1 INHIBITORS OF JANUS KINASES MERCK SHARP & DOHME LLC 2010-10-07 — — US disclosed
US-20100256097-A1 INHIBITORS OF JANUS KINASES MERCK SHARP & DOHME LLC 2010-10-07 — — US disclosed
WO-2008156726-A1 INHIBITORS OF JANUS KINASES MERCK & CO., INC. (US) 2008-12-24 — — WO 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-20100256097-A1 INHIBITORS OF JANUS KINASES JAK2, JAK3, JAK1 ALDH1A1 3244/4885HTT 2118/4885SMN1; SMN2 3716/4885

“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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