SCHEMBL6164431

SCHEMBL6164431

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

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EGLN1 Q9GZT9 9/20 0.49
HTT P42858 1/20 0.43
MLNR O43193 2/20 0.42
ALDH1A1 P00352 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
P2RX3 P56373 1/20 0.39
MMP2 P08253 2/20 0.39
MMP1 P03956 1/20 0.39
MMP3 P08254 1/20 0.39
MMP9 P14780 1/20 0.39
MMP13 P45452 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HRH3 Q9Y5N1 1/20 0.39
NPC1 O15118 1/20 0.39
POLB P06746 1/20 0.39
RAB9A P51151 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
SCHEMBL6160356 0.92 EGLN1 (0.46) EGLN1HTTMLNRALDH1A1L3MBTL1
SCHEMBL6161195 0.91 EGLN1 (0.46) EGLN1HTTMLNRALDH1A1L3MBTL1
SCHEMBL6160411 0.91 EGLN1 (0.49) EGLN1ALDH1A1L3MBTL1
SCHEMBL6158119 0.90 EGLN1 (0.48) EGLN1ALDH1A1
SCHEMBL6158633 0.89 EGLN1 (0.44) EGLN1HTTMLNRALDH1A1L3MBTL1
SCHEMBL6158583 0.88 EGLN1 (0.46) EGLN1HTTMLNRALDH1A1L3MBTL1
SCHEMBL6164424 0.85 EGLN1 (0.51) EGLN1HTTMLNRMMP2MMP1
SCHEMBL6163855 0.85 EGLN1 (0.39) EGLN1P2RX3
SCHEMBL6160758 0.81 EGLN1 (0.51) EGLN1HTTMLNRALDH1A1L3MBTL1
SCHEMBL6160360 0.80 EGLN1 (0.46) EGLN1HTTMLNRALDH1A1L3MBTL1

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 4 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 claimed
EP-1500658-A1 NOVEL THIOL DERIVATIVE, PROCESS FOR PRODUCING THE SAME AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2005-01-26 EP claimed
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 841/4885HTT 581/4885MLNR 4388/4885

“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.