SCHEMBL1676024

SCHEMBL1676024

COc1cc(-c2cc[c]cc2)ccc1NC(=O)OC(C)(C)C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.50
ABL1 P00519 5/20 0.48
PIK3CD O00329 1/20 0.48
EGFR P00533 1/20 0.48
KDR P35968 1/20 0.48
PIK3CA P42336 1/20 0.48
PIK3CG P48736 1/20 0.48
BACE1 P56817 1/20 0.48
PRKDC P78527 1/20 0.48
PI4KB Q9UBF8 1/20 0.48
ALDH1A1 P00352 5/20 0.47
KDM4E B2RXH2 3/20 0.47
HPGD P15428 2/20 0.47
MAPT P10636 2/20 0.47
LMNA P02545 1/20 0.47
POLB P06746 1/20 0.47
HSD17B1 P14061 1/20 0.45
HSD17B2 P37059 1/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45

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
SCHEMBL17197347 0.85 CYP17A1 (0.57) HTTABL1PIK3CDEGFRKDR
SCHEMBL30684825 0.83 ABL1 (0.53) HTTABL1PIK3CDEGFRKDR
SCHEMBL3337602 0.80 GAA (0.41) HTTABL1PIK3CDEGFRKDR
SCHEMBL15457550 0.79 EPHX1 (0.57) HTTABL1PIK3CDEGFRKDR
SCHEMBL17197270 0.78 HTT (0.49) HTTABL1PIK3CDEGFRKDR
SCHEMBL26796625 0.78 ALDH1A1 (0.48) HTTABL1PIK3CDEGFRKDR
SCHEMBL2589170 0.78 ALDH1A1 (0.63) ALDH1A1KDM4EHPGDMAPTLMNA
SCHEMBL6607121 0.78 CYP17A1 (0.58) HTTPRKDCCYP17A1MAP4K4
SCHEMBL12772333 0.77 CYP17A1 (0.53) HPGDCYP17A1MAP4K4
SCHEMBL2352399 0.77 GAA (0.53) HTTABL1PIK3CDEGFRKDR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2007523903-A 2007-08-23 JP claimed
EP-1730118-A1 SUBSTITUTED AZOLE DERIVATIVES, COMPOSITIONS, AND METHODS OF USE Transtech Pharma, Inc. (US) 2006-12-13 EP claimed
WO-2005080346-A1 SUBSTITUTED AZOLE DERIVATIVES, COMPOSITIONS, AND METHODS OF USE TRANSTECH PHARMA, INC. (US) 2005-09-01 WO claimed
US-20050187277-A1 Substituted azole derivatives, compositions, and methods of use TRANSTECH PHARMA, INC. 2005-08-25 US claimed
US-20110092553-A1 Substituted Azole Derivatives, Compositions, and Methods of Use TRANSTECH PHARMA, INC. (US) 2011-04-21 US disclosed
EP-1730118-A1 SUBSTITUTED AZOLE DERIVATIVES, COMPOSITIONS, AND METHODS OF USE Transtech Pharma, Inc. (US) 2006-12-13 EP disclosed
WO-2005080346-A1 SUBSTITUTED AZOLE DERIVATIVES, COMPOSITIONS, AND METHODS OF USE TRANSTECH PHARMA, INC. (US) 2005-09-01 WO disclosed
US-20050187277-A1 Substituted azole derivatives, compositions, and methods of use TRANSTECH PHARMA, INC. 2005-08-25 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-20110092553-A1 Substituted Azole Derivatives, Compositions, and Methods of Use PTPRO, PTPN5, PTPRE HTT 4311/4885ABL1 57/4885PIK3CD 407/4885
US-20050187277-A1 Substituted azole derivatives, compositions, and methods of use PTPRO, PTPN5, PTPRE HTT 4311/4885ABL1 57/4885PIK3CD 407/4885

“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.