SCHEMBL4605095

SCHEMBL4605095

CC(C)(C)C(=O)COc1c(C(=O)c2ccccc2)sc2ccc(F)cc12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SENP5 Q96HI0 3/20 0.38
SENP2 Q9HC62 3/20 0.38
SENP1 Q9P0U3 3/20 0.38
CXCR2 P25025 1/20 0.37
ALDH1A1 P00352 4/20 0.37
HTT P42858 1/20 0.37
ESR1 P03372 4/20 0.36
EDNRA P25101 1/20 0.36
LRRK2 Q5S007 1/20 0.36
MAOB P27338 2/20 0.36
KMT2A Q03164 3/20 0.35
MEN1 O00255 2/20 0.35
HPGD P15428 1/20 0.35
LMNA P02545 1/20 0.35
TLR3 O15455 1/20 0.35
PTPN2 P17706 1/20 0.35
PTPN1 P18031 1/20 0.35
KDM4E B2RXH2 1/20 0.35
THRB P10828 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35

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
SCHEMBL4605894 0.93 ESR1 (0.40) SENP5SENP2SENP1CXCR2ALDH1A1
SCHEMBL4603763 0.89 MAOB (0.44) ALDH1A1ESR1MAOBKMT2AMEN1
SCHEMBL4606976 0.87 MAOB (0.44) SENP5SENP2SENP1CXCR2ALDH1A1
SCHEMBL4605385 0.86 CXCR2 (0.48) SENP5SENP2SENP1CXCR2ALDH1A1
SCHEMBL4605344 0.78 MAOB (0.59) SENP5SENP2SENP1CXCR2ALDH1A1
SCHEMBL4605051 0.78 GABRA1 (0.54) SENP5SENP2SENP1CXCR2ALDH1A1
SCHEMBL4634437 0.75 PTPN2 (0.56) SENP5SENP2SENP1CXCR2ALDH1A1
SCHEMBL4603697 0.75 SENP5 (0.48) SENP5SENP2SENP1CXCR2ALDH1A1
SCHEMBL4604994 0.75 PTPN1 (0.53) SENP5SENP2SENP1CXCR2ALDH1A1
SCHEMBL4606183 0.73 CXCR2 (0.48) SENP5SENP2SENP1CXCR2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1685122-B1 BENZOFURANS AND BENZOTHIOPHENES MERCK PATENT GMBH (DE) 2008-07-09 EP disclosed
US-7371774-B2 Benzofurans and benzothiophenes MERCK PATENT GMBH (DE) 2008-05-13 US disclosed
US-20070066680-A1 Benzofurans and benzothiophenes MERCK PATENT GMBH (DE) 2007-03-22 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 (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-20070066680-A1 Benzofurans and benzothiophenes INSR, GPR119, IGF1R SENP5 3478/4885SENP2 4103/4885SENP1 3205/4885

“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.