SCHEMBL4604994

SCHEMBL4604994

O=C(O)COc1c(C(=O)c2ccc(F)cc2)sc2ccccc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 3/20 0.53
PTPN2 P17706 1/20 0.53
SENP5 Q96HI0 4/20 0.49
SENP2 Q9HC62 4/20 0.49
SENP1 Q9P0U3 4/20 0.49
MAOB P27338 2/20 0.45
NPSR1 Q6W5P4 3/20 0.45
PRNP P04156 1/20 0.45
RXFP1 Q9HBX9 1/20 0.45
ALDH1A1 P00352 5/20 0.44
KDM4E B2RXH2 3/20 0.44
THRB P10828 1/20 0.44
GABRA1 P14867 1/20 0.43
GABRA5 P31644 1/20 0.43
KMT2A Q03164 2/20 0.42
TDP1 Q9NUW8 2/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
LMNA P02545 1/20 0.42

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
SCHEMBL4603458 0.91 PTPN1 (0.59) PTPN1PTPN2SENP5SENP2SENP1
SCHEMBL4603697 0.90 SENP5 (0.48) PTPN1PTPN2SENP5SENP2SENP1
SCHEMBL4604089 0.87 SENP5 (0.47) PTPN1PTPN2SENP5SENP2SENP1
SCHEMBL4604908 0.86 PPARA (0.48) PTPN1PTPN2SENP5SENP2SENP1
SCHEMBL4606976 0.86 MAOB (0.44) PTPN1PTPN2SENP5SENP2SENP1
SCHEMBL14141105 0.85 GABRA1 (0.44) PTPN1PTPN2SENP5SENP2SENP1
SCHEMBL4605712 0.85 PPARA (0.47) PTPN1PTPN2SENP5SENP2SENP1
SCHEMBL4604073 0.83 SENP2 (0.58) SENP5SENP2SENP1RXFP1ALDH1A1
SCHEMBL4602975 0.83 CXCR2 (0.55) SENP5SENP2SENP1MAOBNPSR1
SCHEMBL4604636 0.83 SENP5 (0.48) SENP5SENP2SENP1MAOBNPSR1

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 2031/4885PTPN2 2576/4885SENP5 3478/4885

“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.