SCHEMBL4603622

SCHEMBL4603622

CC(=O)c1sc2ccccc2c1OC(CCc1ccccc1)C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 8/20 0.52
KMT2A Q03164 2/20 0.51
F2 P00734 1/20 0.51
MAPT P10636 1/20 0.51
PPARG P37231 2/20 0.47
PPARA Q07869 2/20 0.47
EDNRA P25101 1/20 0.43
SENP5 Q96HI0 2/20 0.42
SENP2 Q9HC62 2/20 0.42
SENP1 Q9P0U3 2/20 0.42
USP2 O75604 1/20 0.42
PTGS2 P35354 1/20 0.41
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
NMT1 P30419 1/20 0.40

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
SCHEMBL4605156 0.88 KMT2A (0.47) PTPN1KMT2AF2MAPTPPARG
SCHEMBL4633529 0.87 PTPN1 (0.50) PTPN1KMT2AF2MAPTPPARG
SCHEMBL4606731 0.87 PTPN1 (0.52) PTPN1KMT2APPARGPPARAEDNRA
SCHEMBL4605028 0.85 KMT2A (0.49) PTPN1KMT2AF2MAPTPPARG
SCHEMBL4607131 0.83 KMT2A (0.47) PTPN1KMT2AF2MAPTEDNRA
SCHEMBL4605133 0.78 ALDH1A1 (0.51) PTPN1KMT2AMAPTEDNRASENP5
SCHEMBL4605351 0.76 ALDH1A1 (0.48) PTPN1KMT2APPARGPPARASENP5
SCHEMBL4633994 0.75 PPARG (0.44) PTPN1KMT2AMAPTPPARGPPARA
SCHEMBL4606177 0.75 PPARG (0.44) PTPN1KMT2AMAPTPPARGPPARA
SCHEMBL4604720 0.73 LMNA (0.50) PTPN1KMT2AMAPTPPARGPPARA

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 PTPN1 2031/4885KMT2A 2846/4885F2 418/4885

“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.