SCHEMBL3242043

SCHEMBL3242043

O=C(NCc1cccc(OC(F)(F)F)c1)c1csc(-c2cc(Cl)c(O)c(Cl)c2)n1

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ ROCK1 Q13464 3/20 0.53
▸ ROCK2 O75116 2/20 0.53
▸ SCN10A Q9Y5Y9 1/20 0.49
▸ GLS O94925 10/20 0.49
▸ MAPK14 Q16539 1/20 0.48
▸ MAPK1 P28482 1/20 0.47
▸ ABCB1 P08183 1/20 0.45
▸ EIF4E P06730 1/20 0.44
▸ MMP13 P45452 1/20 0.43

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
SCHEMBL13645753 0.81 HPGD (0.45) ROCK2EIF4E
SCHEMBL3242363 0.78 ROCK1 (0.51) ROCK1ROCK2GLSMAPK14MAPK1
SCHEMBL1114987 0.78 ROCK2 (0.51) ROCK1ROCK2GLSMAPK14MAPK1
SCHEMBL3409157 0.77 MAPT (0.60) ROCK1ROCK2GLSMAPK14MAPK1
SCHEMBL690748 0.77 ROCK2 (0.52) ROCK1ROCK2GLSMAPK14MAPK1
SCHEMBL31703630 0.75 SCN10A (0.46) ROCK1ROCK2SCN10AGLSMAPK1
SCHEMBL3608651 0.74 ROCK1 (0.60) ROCK1ROCK2GLSMAPK14MAPK1
SCHEMBL14256086 0.73 MAPK14 (0.62) ROCK1ROCK2GLSMAPK14ABCB1
SCHEMBL2212039 0.72 ABCB1 (0.51) ROCK1ROCK2GLSMAPK14MAPK1
SCHEMBL27931805 0.72 ROCK2 (0.66) ROCK1ROCK2GLSMAPK14ABCB1

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-20100099677-A1 Compounds, Compositions and Methods Comprising Thiazole Derivatives INSTITUTE FOR ONEWORLD HEALTH 2010-04-22 — — US claimed
US-20100144733-A1 Compounds, compositions and methods comprising heteroaromatic derivatives INSTITUTE FOR ONEWORLD HEALTH 2010-06-10 — — US disclosed
US-20100144733-A1 Compounds, compositions and methods comprising heteroaromatic derivatives INSTITUTE FOR ONEWORLD HEALTH 2010-06-10 — — US disclosed
US-20100144733-A1 Compounds, compositions and methods comprising heteroaromatic derivatives INSTITUTE FOR ONEWORLD HEALTH 2010-06-10 — — US disclosed
US-20100099677-A1 Compounds, Compositions and Methods Comprising Thiazole Derivatives INSTITUTE FOR ONEWORLD HEALTH 2010-04-22 — — US disclosed
US-20100099677-A1 Compounds, Compositions and Methods Comprising Thiazole Derivatives INSTITUTE FOR ONEWORLD HEALTH 2010-04-22 — — US disclosed
US-20100099677-A1 Compounds, Compositions and Methods Comprising Thiazole Derivatives INSTITUTE FOR ONEWORLD HEALTH 2010-04-22 — — US disclosed
US-20090318429-A1 Compounds, Compositions and Methods Comprising Heteroaromatic Derivatives INSTITUTE FOR ONEWORLD HEALTH 2009-12-24 — — US disclosed
US-20090318429-A1 Compounds, Compositions and Methods Comprising Heteroaromatic Derivatives INSTITUTE FOR ONEWORLD HEALTH 2009-12-24 — — US disclosed
US-20090318429-A1 Compounds, Compositions and Methods Comprising Heteroaromatic Derivatives INSTITUTE FOR ONEWORLD HEALTH 2009-12-24 — — 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 (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-20100144733-A1 Compounds, compositions and methods comprising heteroaromatic derivatives CFTR, PKD1, PKD2 ROCK1 2801/4885ROCK2 3358/4885SCN10A 1158/4885
US-20100099677-A1 Compounds, Compositions and Methods Comprising Thiazole Derivatives CFTR, PKD1, PKD2 ROCK1 2497/4885ROCK2 2835/4885SCN10A 1413/4885
US-20090318429-A1 Compounds, Compositions and Methods Comprising Heteroaromatic Derivatives CFTR, PKD1, PKD2 ROCK1 2801/4885ROCK2 3358/4885SCN10A 1158/4885

“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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