SCHEMBL4604985

SCHEMBL4604985

CC(=O)c1sc2ccccc2c1OCCOc1ccc(CCC(=O)O)cc1

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CXCR2 P25025 1/20 0.54
FFAR1 O14842 14/20 0.54
AKR1B1 P15121 1/20 0.52
FFAR4 Q5NUL3 4/20 0.51
LMNA P02545 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
PPARD Q03181 3/20 0.46
F2 P00734 1/20 0.46
MAPT P10636 1/20 0.46
KMT2A Q03164 1/20 0.46
PPARG P37231 1/20 0.45
PPARA Q07869 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
SCHEMBL4606015 0.89 CXCR2 (0.56) CXCR2LMNAF2MAPTKMT2A
SCHEMBL4633030 0.88 CXCR2 (0.52) CXCR2FFAR1AKR1B1FFAR4LMNA
SCHEMBL4828979 0.88 CXCR2 (0.57) CXCR2FFAR1AKR1B1FFAR4LMNA
SCHEMBL4603395 0.88 FFAR1 (0.53) CXCR2FFAR1AKR1B1FFAR4LMNA
SCHEMBL4633571 0.83 CXCR2 (0.55) CXCR2FFAR1LMNAMAPTPPARG
SCHEMBL4605692 0.82 CXCR2 (0.50) CXCR2LMNAF2MAPTKMT2A
SCHEMBL4634489 0.82 CXCR2 (0.50) CXCR2FFAR1AKR1B1FFAR4LMNA
SCHEMBL4604123 0.81 CXCR2 (0.49) CXCR2LMNAF2MAPTKMT2A
SCHEMBL4632921 0.81 CXCR2 (0.45) CXCR2FFAR1FFAR4LMNAL3MBTL1
SCHEMBL4603385 0.80 CXCR2 (0.53) CXCR2FFAR1LMNAL3MBTL1MAPT

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 1633/4885FFAR1 246/4885AKR1B1 454/4885

“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.