SCHEMBL4603458

SCHEMBL4603458

O=C(O)COc1c(C(=O)c2ccccc2)sc2ccccc12

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 5/20 0.59
PTPN2 P17706 2/20 0.59
KMT2A Q03164 3/20 0.49
ALDH1A1 P00352 2/20 0.49
LMNA P02545 1/20 0.49
SENP5 Q96HI0 3/20 0.47
SENP2 Q9HC62 3/20 0.47
SENP1 Q9P0U3 3/20 0.47
MAOB P27338 4/20 0.47
GABRA1 P14867 1/20 0.45
GABRA5 P31644 1/20 0.45
PTPRC P08575 2/20 0.45
PTPRF P10586 1/20 0.45
PTPRA P18433 1/20 0.45
PTPRB P23467 1/20 0.45
PTPN6 P29350 1/20 0.45
DUSP3 P51452 1/20 0.45
PTPN12 Q05209 1/20 0.45
CXCR2 P25025 1/20 0.44
CD69 Q07108 1/20 0.43

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
SCHEMBL4604994 0.91 PTPN1 (0.53) PTPN1PTPN2KMT2AALDH1A1LMNA
SCHEMBL4603300 0.90 PTPN2 (0.51) PTPN1PTPN2KMT2AALDH1A1LMNA
SCHEMBL4604564 0.89 SENP2 (0.59) PTPN1PTPN2KMT2AALDH1A1LMNA
SCHEMBL11844857 0.87 PTPN1 (0.76) PTPN1PTPN2KMT2AALDH1A1LMNA
SCHEMBL8618124 0.86 ALDH1A1 (0.59) KMT2AALDH1A1LMNASENP5SENP2
SCHEMBL4605385 0.85 CXCR2 (0.48) PTPN1PTPN2KMT2AALDH1A1LMNA
SCHEMBL4605404 0.85 PPARA (0.48) PTPN1PTPN2KMT2AALDH1A1LMNA
SCHEMBL4604537 0.84 SENP2 (0.60) ALDH1A1SENP5SENP2SENP1
SCHEMBL4605718 0.84 PTPN1 (0.46) PTPN1PTPN2KMT2AALDH1A1LMNA
SCHEMBL4604056 0.84 PTPN1 (0.60) PTPN1PTPN2KMT2AALDH1A1LMNA

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 2576/4885KMT2A 2846/4885

“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.