SCHEMBL5214004

SCHEMBL5214004

CC(C)(C)OC(=O)NCc1cccc(C(=O)N(CC(=O)O)c2ccccc2)c1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.45
GLS O94925 3/20 0.43
PPARG P37231 2/20 0.42
NR1H4 Q96RI1 2/20 0.41
KDM4A O75164 1/20 0.41
SLC7A5 Q01650 1/20 0.41
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA7 P43166 1/20 0.40
CA14 Q9ULX7 1/20 0.40
BRD4 O60885 3/20 0.39
IDO1 P14902 1/20 0.39
NAMPT P43490 1/20 0.39
AKT1 P31749 2/20 0.39
CREBBP Q92793 1/20 0.39

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
SCHEMBL5204542 0.85 L3MBTL1 (0.42) GLSBRD4
SCHEMBL5209136 0.84 HDAC1 (0.38) HDAC1GLSPPARGBRD4NAMPT
SCHEMBL5212934 0.83 HDAC1 (0.37) HDAC1GLSBRD4NAMPTCREBBP
SCHEMBL5209066 0.83 CYP2D6 (0.49) GLS
SCHEMBL5210913 0.82 NPC1 (0.39) HDAC1NR1H4SLC7A5
SCHEMBL5626868 0.82 GLS (0.36) HDAC1GLSPPARGNR1H4SLC7A5
SCHEMBL5210889 0.82 NPC1 (0.40) HDAC1NAMPT
SCHEMBL5207716 0.82 MEN1 (0.37) HDAC1GLS
SCHEMBL5210074 0.81 RXRB (0.38) HDAC1NR1H4
SCHEMBL5216930 0.80 RAB9A (0.37) HDAC1SLC7A5

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 9 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
EP-1240154-A1 SERINE PROTEASE INHIBITORS Tularik Limited (GB) 2002-09-18 EP disclosed
EP-1192135-A2 SERINE PROTEASE INHIBITORS ELI LILLY AND COMPANY (US) 2002-04-03 EP disclosed
WO-2001044226-A1 SERINE PROTEASE INHIBITORS TULARIK LIMITED (GB) 2001-06-21 WO disclosed
WO-2000076970-A2 SERINE PROTEASE INHIBITORS ELI LILLY AND COMPANY (US) 2000-12-21 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 (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 1854/4885GLS 1644/4885PPARG 4575/4885
US-20030018059-A1 Serine protease inhibitors TPSAB1, PRSS1, SERPINB1 HDAC1 1700/4885GLS 2989/4885PPARG 4623/4885

“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.