SCHEMBL4604246

SCHEMBL4604246

CC(C)(C)C(=O)c1sc2ccccc2c1OCCCCC(=O)O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CXCR2 P25025 1/20 0.53
ALDH1A1 P00352 3/20 0.41
LMNA P02545 3/20 0.41
KMT2A Q03164 2/20 0.41
PTPN2 P17706 1/20 0.41
PTPN1 P18031 1/20 0.41
BCL2 P10415 2/20 0.39
BCL2L1 Q07817 2/20 0.39
MCL1 Q07820 2/20 0.39
BAD Q92934 2/20 0.39
PPARA Q07869 2/20 0.39
SENP5 Q96HI0 3/20 0.39
SENP2 Q9HC62 3/20 0.39
SENP1 Q9P0U3 3/20 0.39
POLB P06746 1/20 0.39
USP2 O75604 1/20 0.39
MAPT P10636 2/20 0.38
KDM4E B2RXH2 1/20 0.38
NPC1 O15118 1/20 0.38
CASP3 P42574 1/20 0.38

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
SCHEMBL4605238 0.99 CXCR2 (0.52) CXCR2ALDH1A1LMNAKMT2APTPN2
SCHEMBL4602716 0.96 CXCR2 (0.54) CXCR2ALDH1A1LMNAKMT2APTPN2
SCHEMBL4605692 0.86 CXCR2 (0.50) CXCR2ALDH1A1LMNAKMT2APTPN2
SCHEMBL4604123 0.85 CXCR2 (0.49) CXCR2ALDH1A1LMNAKMT2APTPN2
SCHEMBL4828979 0.83 CXCR2 (0.57) CXCR2LMNAPPARAL3MBTL1
SCHEMBL4633542 0.83 CXCR2 (0.47) CXCR2ALDH1A1LMNAKMT2APTPN2
SCHEMBL4603929 0.82 PPARA (0.53) CXCR2ALDH1A1LMNAKMT2APTPN2
SCHEMBL4632963 0.82 CXCR2 (0.47) CXCR2ALDH1A1LMNAKMT2APTPN2
SCHEMBL4604559 0.81 PPARA (0.52) CXCR2ALDH1A1LMNAKMT2APTPN2
SCHEMBL4604550 0.81 CXCR2 (0.59) CXCR2ALDH1A1LMNAKMT2ABCL2

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 1633/4885ALDH1A1 1032/4885LMNA 2810/4885

“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.