SCHEMBL7205496

SCHEMBL7205496

O=C(O)CN(CCc1ccc(N=C=S)cc1)CCN(CCN(CC(=O)O)CC(=O)O)CC(=O)O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RY6 Q15077 1/20 0.53
HSD17B10 Q99714 1/20 0.46
KCNH2 Q12809 1/20 0.45
TDP1 Q9NUW8 2/20 0.43
KDM4E B2RXH2 1/20 0.43
LMNA P02545 1/20 0.43
CHRM2 P08172 1/20 0.43
ADRA2A P08913 1/20 0.43
ALOX15 P16050 1/20 0.43
TSHR P16473 1/20 0.43
DRD1 P21728 1/20 0.43
SLC6A2 P23975 1/20 0.43
SLC6A4 P31645 1/20 0.43
CYP2C19 P33261 1/20 0.43
ADRA1A P35348 1/20 0.43
DRD3 P35462 1/20 0.43
BLM P54132 1/20 0.43
PMP22 Q01453 1/20 0.43
SLC6A3 Q01959 1/20 0.43
HRH3 Q9Y5N1 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
SCHEMBL7202500 0.89 HSD17B10 (0.46) P2RY6HSD17B10TDP1KDM4ELMNA
SCHEMBL1149469 0.84 P2RY6 (0.42) P2RY6HSD17B10KCNH2TDP1KDM4E
SCHEMBL9278053 0.83 P2RY6 (0.52) P2RY6HSD17B10TDP1TSHRCA1
Edetic Acid SCHEMBL5162768 0.83 MIF (0.57) P2RY6HSD17B10TDP1KDM4ELMNA
SCHEMBL7516431 0.83 CA1 (0.59) P2RY6HSD17B10CA1CA2CA4
SCHEMBL7169814 0.81 P2RY6 (0.42) P2RY6HSD17B10KCNH2TDP1CA1
SCHEMBL9310423 0.81 CA1 (0.58) P2RY6HSD17B10TDP1CA1CA2
SCHEMBL1230833 0.80 HSD17B10 (0.39) P2RY6HSD17B10TDP1KDM4ELMNA
SCHEMBL15388483 0.80 P2RY6 (0.40) P2RY6HSD17B10KCNH2CA1CA2
SCHEMBL8533725 0.80 P2RY6 (0.40) P2RY6HSD17B10KCNH2TP53CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030198598-A1 Polypeptide derivatives ALBERT RAINER (CH) 2003-10-23 US claimed
EP-0436005-B1 LABELED POLYPEPTIDE DERIVATIVES SANDOZ LTD (CH) 1995-03-29 EP claimed
WO-1991001144-A1 LABELED POLYPEPTIDE DERIVATIVES SANDOZ LTD (CH) 1991-02-07 WO claimed
US-20030198598-A1 Polypeptide derivatives ALBERT RAINER (CH) 2003-10-23 US disclosed
US-5686410-A EPIDERMAL GROWTH FACTOR WITH CHELATING GROUP NOVARTIS AG (CH) 1997-11-11 US disclosed
EP-0436005-B1 LABELED POLYPEPTIDE DERIVATIVES SANDOZ LTD (CH) 1995-03-29 EP disclosed
WO-1991001144-A1 LABELED POLYPEPTIDE DERIVATIVES SANDOZ LTD (CH) 1991-02-07 WO 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-20030198598-A1 Polypeptide derivatives HDGF, IGFBP1, VIP P2RY6 3261/4885HSD17B10 4580/4885KCNH2 4746/4885

“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.