SCHEMBL4815641

SCHEMBL4815641

COC(=O)C(CO)NC(=O)c1ccc(CNC(=O)OC(C)(C)C)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 1/20 0.51
HDAC1 Q13547 2/20 0.50
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
TAS1R3 Q7RTX0 1/20 0.46
TAS1R1 Q7RTX1 1/20 0.46
MAPT P10636 5/20 0.46
L3MBTL1 Q9Y468 4/20 0.46
NPSR1 Q6W5P4 3/20 0.46
RECQL P46063 1/20 0.46
POLB P06746 2/20 0.46
TDP1 Q9NUW8 4/20 0.45
HDAC10 Q969S8 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
KDM4E B2RXH2 2/20 0.44
EPHX2 P34913 2/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
NR1H4 Q96RI1 1/20 0.43
GPR55 Q9Y2T6 2/20 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
SCHEMBL6390205 0.85 NR1H4 (0.42) NAMPTHDAC1MEN1KMT2ATAS1R3
SCHEMBL13245489 0.85 NAMPT (0.46) NAMPTHDAC1MEN1KMT2ATAS1R3
SCHEMBL23775465 0.83 ALDH1A1 (0.58) NAMPTHDAC1MEN1KMT2AMAPT
SCHEMBL6392529 0.82 TAS1R3 (0.40) HDAC1TAS1R3TAS1R1HDAC10HDAC6
SCHEMBL6395877 0.82 NAMPT (0.50) NAMPTHDAC1MEN1KMT2ATAS1R3
SCHEMBL27060946 0.82 CTSB (0.56) NAMPTHDAC1MEN1KMT2AMAPT
SCHEMBL30807227 0.81 HDAC1 (0.42) HDAC1MEN1KMT2AMAPTL3MBTL1
SCHEMBL6390233 0.81 MEN1 (0.38) HDAC1MEN1KMT2AMAPTL3MBTL1
SCHEMBL26014294 0.80 CD274 (0.49) NAMPTHDAC1TAS1R3TAS1R1HDAC6
SCHEMBL7446916 0.78 HDAC1 (0.50) NAMPTHDAC1MEN1KMT2AMAPT

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
US-20080139547-A1 ACETYLENE DERIVATIVES AS INHIBITORS OF HISTONE DEACETYLASE PHARMACYCLICS, INC. (US) 2008-06-12 US disclosed
US-7368572-B2 Acetylene derivatives as inhibitors of histone deacetylase PHARMACYCLICS, INC. (US) 2008-05-06 US disclosed
EP-1656348-B1 ACETYLENE DERIVATIVES AS INHIBITORS OF HISTONE DEACETYLASE AXYS PHARM INC (US) 2007-02-07 EP disclosed
CN-1795175-A Acetylene derivatives as inhibitors of histone deacetylase AXYS PHARM INC (US) 2006-06-28 CN disclosed
EP-1656348-A1 ACETYLENE DERIVATIVES AS INHIBITORS OF HISTONE DEACETYLASE AXYS PHARMACEUTICALS, INC. (US) 2006-05-17 EP disclosed
US-20050131018-A1 Acetylene derivatives as inhibitors of histone deacetylase AXYS PHARMACEUTICALS, INC. (US) 2005-06-16 US disclosed
WO-2005019174-A1 ACETYLENE DERIVATIVES AS INHIBITORS OF HISTONE DEACETYLASE AXYS PHARMACEUTICALS, INC. (US) 2005-03-03 WO disclosed
US-20050026929-A1 Novel phenyl derivatives as inducers of apoptosis AXYS PHARMACEUTICALS, INC. (US) 2005-02-03 US disclosed
WO-2003090680-A2 NOVEL PHENYL DERIVATIVES AS INDUCERS OF APOPTOSIS AXYS PHARMACEUTICALS, INC. (US) 2003-11-06 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 (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-20050026929-A1 Novel phenyl derivatives as inducers of apoptosis BAX, BAD, CASP3 NAMPT 809/4885HDAC1 90/4885MEN1 4812/4885
US-20080139547-A1 ACETYLENE DERIVATIVES AS INHIBITORS OF HISTONE DEACETYLASE HDAC1, HDAC10, HDAC2 NAMPT 102/4885HDAC1 1/4885MEN1 3063/4885
US-20050131018-A1 Acetylene derivatives as inhibitors of histone deacetylase HDAC1, HDAC10, HDAC2 NAMPT 102/4885HDAC1 1/4885MEN1 3063/4885

“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.