SCHEMBL6316757

SCHEMBL6316757

Nc1onc(-c2ccsc2)c1C(=O)NC(c1ccccc1)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.45
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA4 P22748 1/20 0.43
CA7 P43166 1/20 0.43
TACR3 P29371 2/20 0.42
HPGDS O60760 6/20 0.41
SLC6A9 P48067 1/20 0.38
SLC6A5 Q9Y345 1/20 0.38
MAPT P10636 1/20 0.38
STAT3 P40763 1/20 0.37
KIT P10721 1/20 0.36
FLT1 P17948 1/20 0.36
KDR P35968 1/20 0.36
LMNA P02545 1/20 0.36
RAB9A P51151 1/20 0.36
ROCK2 O75116 1/20 0.36
ROCK1 Q13464 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL6317594 0.85 CA1 (0.48) ALDH1A1CA1CA2CA4CA7
SCHEMBL6317807 0.82 CA1 (0.60) ALDH1A1CA1CA2CA4CA7
SCHEMBL6316676 0.81 MEN1 (0.47) ALDH1A1CA1CA2CA4CA7
SCHEMBL6318511 0.80 GAA (0.47) ALDH1A1CA1CA2CA4CA7
SCHEMBL6316689 0.80 ALDH1A1 (0.47) ALDH1A1CA1CA2CA4CA7
SCHEMBL6317187 0.79 IKBKB (0.43) ALDH1A1CA1CA2CA4CA7
SCHEMBL6316669 0.79 ALDH1A1 (0.44) ALDH1A1CA1CA2CA4CA7
SCHEMBL6322261 0.78 ALDH1A1 (0.44) ALDH1A1CA1CA2CA4CA7
SCHEMBL6315249 0.77 ALDH1A1 (0.47) ALDH1A1CA1CA2CA4CA7
SCHEMBL6321635 0.77 ALDH1A1 (0.47) ALDH1A1CA1CA2CA4CA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050059657-A1 Aminoisoxazole derivatives active as kinase inhibitors PFIZER ITALIA S.R.L. (IT) 2005-03-17 US claimed
CN-1549714-A Aminoisoxazole derivatives active as kinase inhibitors 2004-11-24 CN claimed
EP-1435948-A1 AMINOISOXAZOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS Pharmacia Italia S.p.A. (IT) 2004-07-14 EP claimed
WO-2003013517-A1 AMINOISOXAZOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS PHARMACIA ITALIA S.P.A. (IT) 2003-02-20 WO claimed
US-6977263-B2 Chemical compounds AVENTIS PHARMACEUTICALS INC. (US) 2005-12-20 US disclosed
US-20050228018-A1 Chemical compounds AVENTIS PHARMACEUTICALS INC. (US) 2005-10-13 US disclosed
US-20050059657-A1 Aminoisoxazole derivatives active as kinase inhibitors PFIZER ITALIA S.R.L. (IT) 2005-03-17 US disclosed
EP-1435948-A1 AMINOISOXAZOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS Pharmacia Italia S.p.A. (IT) 2004-07-14 EP disclosed
US-20030187020-A1 Chemical compounds AVENTISUB LLC 2003-10-02 US disclosed
WO-2003013517-A1 AMINOISOXAZOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS PHARMACIA ITALIA S.P.A. (IT) 2003-02-20 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 (3 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-20050059657-A1 Aminoisoxazole derivatives active as kinase inhibitors MAP3K9, MAP3K19, MAP4K2 ALDH1A1 4444/4885CA1 2406/4885CA2 2764/4885
US-20050228018-A1 Chemical compounds CMA1, TPSB2, TPSG1 ALDH1A1 729/4885CA1 1776/4885CA2 516/4885
US-20030187020-A1 Chemical compounds CMA1, TPSB2, TPSG1 ALDH1A1 729/4885CA1 1776/4885CA2 516/4885

“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.