SCHEMBL6161674

SCHEMBL6161674

COC(=O)SS[C@@H]1CC(=O)N(Cc2ccc(Oc3ccc(F)cc3)nc2)C1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EGLN1 Q9GZT9 10/20 0.47
MLNR O43193 3/20 0.43
HTT P42858 1/20 0.41
HCRTR1 O43613 1/20 0.40
HCRTR2 O43614 1/20 0.40
MMP2 P08253 2/20 0.40
MMP1 P03956 1/20 0.40
MMP3 P08254 1/20 0.40
MMP9 P14780 1/20 0.40
MMP13 P45452 1/20 0.40
RXRB P28702 1/20 0.40
PRKAA2 P54646 1/20 0.39
GRIN2B Q13224 1/20 0.39

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
SCHEMBL6158886 0.88 EGLN1 (0.48) EGLN1MLNRHTTHCRTR1HCRTR2
SCHEMBL6158883 0.88 EGLN1 (0.48) EGLN1MLNRHTTHCRTR1HCRTR2
SCHEMBL6160335 0.85 EGLN1 (0.48) EGLN1MLNRHTTHCRTR1HCRTR2
SCHEMBL6160366 0.85 EGLN1 (0.47) EGLN1MLNRHTTHCRTR1HCRTR2
SCHEMBL6161179 0.83 EGLN1 (0.49) EGLN1MLNRHTTMMP2MMP1
SCHEMBL6160519 0.82 EGLN1 (0.46) EGLN1MLNRHTTHCRTR1HCRTR2
SCHEMBL6161160 0.82 EGLN1 (0.46) EGLN1MLNRHTTHCRTR1HCRTR2
SCHEMBL6159088 0.82 EGLN1 (0.46) EGLN1MLNRHTTHCRTR1HCRTR2
SCHEMBL6160930 0.81 EGLN1 (0.45) EGLN1MLNRHTT
SCHEMBL6159395 0.81 EGLN1 (0.49) EGLN1MLNRHTTMMP2MMP1

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-20050165064-A1 Novel thiol derivative, process for producing the same and use thereof TAKEDA PHARMACEUTICALS NORTH AMERICA, INC. 2005-07-28 US disclosed
EP-1500658-A1 NOVEL THIOL DERIVATIVE, PROCESS FOR PRODUCING THE SAME AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2005-01-26 EP 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-20050165064-A1 Novel thiol derivative, process for producing the same and use thereof TST, QSOX1, MMP1 EGLN1 841/4885MLNR 4388/4885HTT 581/4885

“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.