SCHEMBL4598386

SCHEMBL4598386

CC(C)(C)c1cc(N)n(-c2cccc(S(=O)(=O)C(F)(F)F)c2)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GRN P28799 1/20 0.43
▸ SORT1 Q99523 1/20 0.43
▸ MAPK14 Q16539 9/20 0.40
▸ MAPK11 Q15759 5/20 0.40
▸ MAPK13 O15264 4/20 0.40
▸ MAPK12 P53778 4/20 0.40
▸ DDR2 Q16832 3/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ SRC P12931 2/20 0.38
▸ NR1H2 P55055 1/20 0.38
▸ NR1H3 Q13133 1/20 0.38
▸ MAPK9 P45984 1/20 0.37
▸ ABL1 P00519 1/20 0.37
▸ ABL2 P42684 1/20 0.37
▸ MAPK8 P45983 1/20 0.37
▸ KLKB1 P03952 1/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ NPY5R Q15761 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
Hydrochloric Acid SCHEMBL3177847 0.99 GRN (0.42) GRNSORT1MAPK14MAPK11MAPK13
SCHEMBL27742971 0.79 ALOX5 (0.43) ALDH1A1LMNACA1CA2CA9
SCHEMBL1012996 0.79 NPC1 (0.50) MAPK14ALDH1A1CYP1A2CYP2C19
SCHEMBL1012452 0.78 MAPK14 (0.48) GRNSORT1MAPK14MAPK11MAPK13
SCHEMBL29396851 0.78 MAPK14 (0.50) GRNSORT1MAPK14MAPK11MAPK13
SCHEMBL31388010 0.78 MAPK14 (0.48) GRNSORT1MAPK14MAPK11MAPK13
SCHEMBL1012342 0.78 MAPK14 (0.50) GRNSORT1MAPK14MAPK11MAPK13
Hydrochloric Acid SCHEMBL28700813 0.77 MAPK14 (0.47) GRNSORT1MAPK14MAPK11MAPK13
SCHEMBL1013681 0.76 ALDH1A1 (0.67) GRNSORT1MAPK14MAPK11MAPK13
SCHEMBL16458263 0.76 GLA (0.42) ALDH1A1NR1H2NR1H3KLKB1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100016319-A1 ARYLMETHYLENE UREA DERIVATIVE AND USE THEREOF TORAY INDUSTRIES, INC. A CORPORATION OF JAPAN (JP) 2010-01-21 — — US disclosed
US-20100016319-A1 ARYLMETHYLENE UREA DERIVATIVE AND USE THEREOF TORAY INDUSTRIES, INC. A CORPORATION OF JAPAN (JP) 2010-01-21 — — US disclosed
EP-1970375-A1 ARYLMETHYLENE UREA DERIVATIVE AND USE THEREOF TORAY INDUSTRIES, INC. (JP) 2008-09-17 — — EP disclosed
EP-1970375-A1 ARYLMETHYLENE UREA DERIVATIVE AND USE THEREOF TORAY INDUSTRIES, INC. (JP) 2008-09-17 — — EP 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-20100016319-A1 ARYLMETHYLENE UREA DERIVATIVE AND USE THEREOF UROD, UTS2R, SLC14A1 GRN 1584/4885SORT1 4218/4885MAPK14 500/4885

“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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