SCHEMBL6798377

SCHEMBL6798377

O=C(O)CSCc1nc(NCc2ccc3c(c2)OCO3)c2c3c(sc2n1)CCCC3

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN12 Q05209 1/20 0.55
PTPN22 Q9Y2R2 1/20 0.55
ALDH1A1 P00352 6/20 0.45
MAPT P10636 4/20 0.45
MEN1 O00255 4/20 0.45
KMT2A Q03164 4/20 0.45
HTT P42858 3/20 0.45
NPSR1 Q6W5P4 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
HPGD P15428 2/20 0.43
PDE5A O76074 2/20 0.41
CHRM4 P08173 1/20 0.41
LMNA P02545 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
PTGS2 P35354 1/20 0.41
MMP8 P22894 1/20 0.40
MMP13 P45452 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
SCHEMBL5247449 0.89 PTPN12 (0.51) PTPN12PTPN22ALDH1A1MAPTMEN1
SCHEMBL6796892 0.87 PTPN12 (0.50) PTPN12PTPN22ALDH1A1MAPTMEN1
SCHEMBL5253984 0.87 PTPN12 (0.50) PTPN12PTPN22ALDH1A1MAPTMEN1
SCHEMBL5254121 0.86 PTPN12 (0.49) PTPN12PTPN22ALDH1A1MAPTMEN1
SCHEMBL6796700 0.86 PTPN12 (0.49) PTPN12PTPN22ALDH1A1MAPTMEN1
SCHEMBL5247483 0.86 PTPN12 (0.49) PTPN12PTPN22ALDH1A1MAPTMEN1
SCHEMBL6216645 0.85 PDE5A (0.57) ALDH1A1MAPTMEN1KMT2AHTT
SCHEMBL6796924 0.85 PTPN12 (0.48) PTPN12PTPN22ALDH1A1MAPTMEN1
SCHEMBL6213101 0.85 MEN1 (0.47) ALDH1A1MAPTMEN1KMT2AHTT
SCHEMBL5251584 0.85 PTPN12 (0.49) PTPN12PTPN22ALDH1A1MAPTMEN1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6780867-B2 THEY EXHIBIT SPECIFIC INHIBITION OF CGMP PHOSPHODIESTERASE (PDE V) MERCK PATENT GMBH (DE) 2004-08-24 US disclosed
US-20030187260-A1 Thienopyrimidines MERCK PATENT GMBH (DE) 2003-10-02 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-20030187260-A1 Thienopyrimidines TYMP, DPYD, IMPDH1 PTPN12 1112/4885PTPN22 1078/4885ALDH1A1 164/4885

“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.