SCHEMBL934551

SCHEMBL934551

CCC(=O)NCc1cccc(OC(F)(F)F)c1

nearest known ligand 0.70

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ GLS O94925 4/20 0.61
▸ MAPK14 Q16539 1/20 0.60
▸ ROCK2 O75116 1/20 0.57
▸ ROCK1 Q13464 1/20 0.57
▸ PTGER1 P34995 1/20 0.54
▸ ALDH1A1 P00352 1/20 0.53
▸ HTT P42858 1/20 0.53
▸ SMN1; SMN2 Q16637 1/20 0.53
▸ KCNB1 Q14721 1/20 0.52
▸ EPHX2 P34913 2/20 0.51
▸ NAMPT P43490 1/20 0.50
▸ KDM5A P29375 1/20 0.50
▸ KDM4C Q9H3R0 1/20 0.50
▸ KDM5B Q9UGL1 1/20 0.50
▸ MTNR1A P48039 1/20 0.50
▸ MTNR1B P49286 1/20 0.50
▸ PPARG P37231 1/20 0.49
▸ PPARD Q03181 1/20 0.49
▸ PPARA Q07869 1/20 0.49

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
SCHEMBL3638883 0.89 EPHX2 (0.58) GLSMAPK14ROCK2ROCK1PTGER1
SCHEMBL934427 0.87 EPHX2 (0.66) GLSMAPK14ROCK2ROCK1EPHX2
SCHEMBL17335666 0.86 EPHX2 (0.72) MAPK14EPHX2
SCHEMBL5724446 0.86 MAPK14 (0.63) GLSMAPK14ROCK2ROCK1KCNB1
SCHEMBL14684325 0.85 MAPK14 (0.59) GLSMAPK14ROCK2ROCK1PTGER1
SCHEMBL22995143 0.84 ALDH1A1 (0.55) ROCK2ROCK1ALDH1A1HTTSMN1; SMN2
SCHEMBL31036960 0.84 ALDH1A1 (0.55) ROCK2ROCK1ALDH1A1HTTSMN1; SMN2
SCHEMBL13853494 0.83 MAPK14 (0.60) GLSMAPK14ROCK2ROCK1KCNB1
SCHEMBL26051585 0.83 MAPK14 (0.55) GLSMAPK14ROCK2ROCK1PTGER1
SCHEMBL13647056 0.83 MAPK14 (0.63) GLSMAPK14ROCK2ROCK1KCNB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9884814-B2 Acylguanidines for treating osteoarthritis MERCK PATENT GMBH (DE) 2018-02-06 — — US disclosed
US-20150361037-A1 ACYLGUANIDINES FOR TREATING OSTEOARTHRITIS MERCK PATENT GMBH (DE) 2015-12-17 — — US disclosed
EP-2945929-A1 ACYLGUANIDINES FOR TREATING OSTEOARTHRITIS Merck Patent GmbH (DE) 2015-11-25 — — EP disclosed
WO-2014111113-A1 ACYLGUANIDINES FOR TREATING OSTEOARTHRITIS MERCK PATENT GMBH (DE) 2014-07-24 — — WO disclosed
WO-2011006935-A2 TETRAZOLE DERIVATIVES MERCK SERONO S.A. (CH) 2011-01-20 — — 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 (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-20150361037-A1 ACYLGUANIDINES FOR TREATING OSTEOARTHRITIS CTSG, CTSD, CTSB GLS 406/4885MAPK14 1322/4885ROCK2 3031/4885

“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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