SCHEMBL2084801

SCHEMBL2084801

CC1CSC(c2ccc(C#N)cc2)O1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.35
▸ CYP2A6 P11509 2/20 0.35
▸ CA12 O43570 1/20 0.35
▸ CA2 P00918 1/20 0.35
▸ CA3 P07451 1/20 0.35
▸ CA6 P23280 1/20 0.35
▸ CA9 Q16790 1/20 0.35
▸ CA14 Q9ULX7 1/20 0.35
▸ KCNH2 Q12809 2/20 0.33
▸ HTR7 P34969 1/20 0.33
▸ HRH3 Q9Y5N1 1/20 0.33
▸ MMP3 P08254 1/20 0.32
▸ CYP11B2 P19099 1/20 0.31
▸ BACE1 P56817 2/20 0.31
▸ GRIA2 P42262 1/20 0.31
▸ LOXL2 Q9Y4K0 1/20 0.31
▸ GRIA4 P48058 1/20 0.31
▸ CYP19A1 P11511 1/20 0.31
▸ KDM1A O60341 1/20 0.31

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
SCHEMBL5140722 0.77 GRIA4 (0.35) CA12CA2CA9KCNH2HTR7
SCHEMBL13651816 0.72 ALDH1A1 (0.40) ALDH1A1CYP2A6CA12CA2CA3
SCHEMBL2085965 0.70 HTR7 (0.35) ALDH1A1CYP2A6CA12CA2CA3
Propylene Oxide SCHEMBL28948378 0.69 ALDH1A1 (0.50) ALDH1A1CYP2A6CA12CA2CA3
SCHEMBL10451078 0.66 ALDH1A1 (0.38) ALDH1A1CYP2A6KCNH2HRH3CYP11B2
SCHEMBL11689429 0.65 TSHR (0.48) ALDH1A1CYP2A6CA12CA2CA3
SCHEMBL9795857 0.65 GABRP (0.51) —
SCHEMBL10686497 0.64 TSHR (0.39) ALDH1A1CYP2A6KCNH2HRH3GRIA2
SCHEMBL10686501 0.64 TSHR (0.39) ALDH1A1CYP2A6KCNH2HRH3GRIA2
SCHEMBL18921379 0.63 NPC1 (0.36) ALDH1A1CYP2A6KCNH2HRH3CYP11B2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1611120-A4 NOVEL METHODS FOR THE TREATMENT OF INFLAMMATORY DISEASES CORTICAL PTY LTD (AU) 2008-04-23 — — EP claimed
US-20070010563-A1 Novel methods for the treatment of inflammatory diseases CORTICAL PTY LTD (AU) 2007-01-11 — — US claimed
EP-1611120-A1 NOVEL METHODS FOR THE TREATMENT OF INFLAMMATORY DISEASES Cortical Pty Ltd (AU) 2006-01-04 — — EP claimed
WO-2004089927-A1 NOVEL METHODS FOR THE TREATMENT OF INFLAMMATORY DISEASES CORTICAL PTY LTD (AU) 2004-10-21 — — WO claimed
US-7863313-B2 Methods for the treatment of inflammatory diseases CORTICAL PTY LTD (AU) 2011-01-04 — — US disclosed
US-7863313-B2 Methods for the treatment of inflammatory diseases CORTICAL PTY LTD (AU) 2011-01-04 — — US disclosed
US-7863313-B2 Methods for the treatment of inflammatory diseases CORTICAL PTY LTD (AU) 2011-01-04 — — US disclosed
US-20100324001-A1 Novel Methods for the Treatment of Inflammatory Diseases CORTICAL PTY LTD (AU) 2010-12-23 — — US disclosed
US-20100324001-A1 Novel Methods for the Treatment of Inflammatory Diseases CORTICAL PTY LTD (AU) 2010-12-23 — — US disclosed
US-20100324001-A1 Novel Methods for the Treatment of Inflammatory Diseases CORTICAL PTY LTD (AU) 2010-12-23 — — US disclosed
EP-1611120-A4 NOVEL METHODS FOR THE TREATMENT OF INFLAMMATORY DISEASES CORTICAL PTY LTD (AU) 2008-04-23 — — EP disclosed
US-20070010563-A1 Novel methods for the treatment of inflammatory diseases CORTICAL PTY LTD (AU) 2007-01-11 — — US disclosed
US-20070010563-A1 Novel methods for the treatment of inflammatory diseases CORTICAL PTY LTD (AU) 2007-01-11 — — US disclosed
US-20070010563-A1 Novel methods for the treatment of inflammatory diseases CORTICAL PTY LTD (AU) 2007-01-11 — — US disclosed
EP-1611120-A1 NOVEL METHODS FOR THE TREATMENT OF INFLAMMATORY DISEASES Cortical Pty Ltd (AU) 2006-01-04 — — EP disclosed
WO-2004089927-A1 NOVEL METHODS FOR THE TREATMENT OF INFLAMMATORY DISEASES CORTICAL PTY LTD (AU) 2004-10-21 — — 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 (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-20070010563-A1 Novel methods for the treatment of inflammatory diseases MIF, CCL2, CCL11 ALDH1A1 1115/4885CYP2A6 3074/4885CA12 1264/4885
US-20100324001-A1 Novel Methods for the Treatment of Inflammatory Diseases MIF, CCL2, CCL11 ALDH1A1 1115/4885CYP2A6 3074/4885CA12 1264/4885

“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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