SCHEMBL4606183

SCHEMBL4606183

CC(C)(C)C(=O)COc1c(C(=O)C(C)(C)C)sc2ccccc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CXCR2 P25025 1/20 0.48
PTPN2 P17706 1/20 0.44
PTPN1 P18031 1/20 0.44
ALDH1A1 P00352 6/20 0.41
KMT2A Q03164 6/20 0.41
LMNA P02545 3/20 0.41
HTT P42858 2/20 0.41
MAPK1 P28482 2/20 0.40
NOD2 Q9HC29 1/20 0.40
MAPT P10636 6/20 0.40
GAA P10253 3/20 0.40
MEN1 O00255 3/20 0.40
KDM4E B2RXH2 2/20 0.40
OGG1 O15527 1/20 0.40
GLA P06280 1/20 0.40
HPGD P15428 1/20 0.40
ALOX15 P16050 1/20 0.40
ATM Q13315 1/20 0.40
HSD17B10 Q99714 1/20 0.40
SENP5 Q96HI0 3/20 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
SCHEMBL4634437 0.89 PTPN2 (0.56) CXCR2PTPN2PTPN1ALDH1A1KMT2A
SCHEMBL4605385 0.86 CXCR2 (0.48) CXCR2PTPN2PTPN1ALDH1A1KMT2A
SCHEMBL4632974 0.85 ALDH1A1 (0.61) CXCR2ALDH1A1KMT2ALMNAMAPK1
SCHEMBL4605051 0.82 GABRA1 (0.54) CXCR2PTPN2PTPN1ALDH1A1KMT2A
SCHEMBL4605344 0.82 MAOB (0.59) CXCR2PTPN1ALDH1A1KMT2ALMNA
SCHEMBL4606976 0.82 MAOB (0.44) CXCR2PTPN2PTPN1ALDH1A1KMT2A
SCHEMBL4602716 0.81 CXCR2 (0.54) CXCR2PTPN2PTPN1ALDH1A1KMT2A
SCHEMBL4604246 0.80 CXCR2 (0.53) CXCR2PTPN2PTPN1ALDH1A1KMT2A
SCHEMBL4605238 0.79 CXCR2 (0.52) CXCR2PTPN2PTPN1ALDH1A1KMT2A
SCHEMBL4633854 0.78 ALDH1A1 (0.47) CXCR2PTPN2PTPN1ALDH1A1KMT2A

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 CXCR2 1633/4885PTPN2 2576/4885PTPN1 2031/4885

“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.