SCHEMBL5212934

SCHEMBL5212934

CC(C)(C)OC(=O)NCc1cccc(C(=O)N(CC(=O)O)c2ccccc2)c1.NC(=O)c1ccc2c(c1)CCN2

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 2/20 0.37
ACHE P22303 3/20 0.35
ROCK2 O75116 3/20 0.35
PRKG1 Q13976 2/20 0.35
PRKCE Q02156 1/20 0.35
PKN2 Q16513 1/20 0.35
BRD4 O60885 1/20 0.35
CREBBP Q92793 1/20 0.35
F2 P00734 4/20 0.34
GLS O94925 1/20 0.33
IGLV6-57 P01721 1/20 0.33
NAMPT P43490 3/20 0.33
KDM1A O60341 1/20 0.33
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33
MASP2 O00187 1/20 0.33

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
SCHEMBL5209136 0.95 HDAC1 (0.38) HDAC1ACHEROCK2PRKG1PRKCE
SCHEMBL7431095 0.90 HDAC1 (0.38) HDAC1ACHEROCK2PRKG1PRKCE
SCHEMBL5210913 0.84 NPC1 (0.39) HDAC1ROCK2PRKG1PRKCEPKN2
SCHEMBL5210889 0.84 NPC1 (0.40) HDAC1ROCK2PRKG1PRKCEPKN2
SCHEMBL5214004 0.83 HDAC1 (0.45) HDAC1BRD4CREBBPGLSNAMPT
SCHEMBL5210074 0.83 RXRB (0.38) HDAC1ROCK2PRKG1PRKCEPKN2
SCHEMBL5216930 0.82 RAB9A (0.37) HDAC1ROCK2PRKG1PRKCEPKN2
Trifluoroacetic Acid SCHEMBL5216054 0.81 ACHE (0.38) ACHEF2KDM1A
Trifluoroacetic Acid SCHEMBL4807978 0.80 NPC1 (0.37) HDAC1ROCK2PRKG1PRKCEPKN2
SCHEMBL5209066 0.78 CYP2D6 (0.49) F2GLS

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
EP-1240154-B1 SERINE PROTEASE INHIBITORS TULARIK LTD (GB) 2007-02-28 EP disclosed
US-7157585-B2 Serine protease inhibitors TULARIK LIMITED (GB) 2007-01-02 US disclosed
US-20050215587-A1 Serine protease inhibitors LIVELY SARAH E 2005-09-29 US disclosed
US-6916957-B2 Serine protease inhibitors TULARIK LIMITED (GB) 2005-07-12 US disclosed
US-20030018059-A1 Serine protease inhibitors PROTHERICS MOLECULAR DESIGN LIMITED (GB) 2003-01-23 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 (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-20050215587-A1 Serine protease inhibitors PRSS1, TPSAB1, CMA1 HDAC1 1854/4885ACHE 480/4885ROCK2 3158/4885
US-20030018059-A1 Serine protease inhibitors TPSAB1, PRSS1, SERPINB1 HDAC1 1700/4885ACHE 1165/4885ROCK2 3665/4885

“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.