SCHEMBL13624173

SCHEMBL13624173

COCCOc1ccc(C(=O)C(F)(F)F)cc1

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MLYCD O95822 9/20 0.55
MAPT P10636 3/20 0.54
RAB9A P51151 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.47
NPC1 O15118 2/20 0.46
PKM P14618 1/20 0.46
GAA P10253 1/20 0.46
PLK1 P53350 1/20 0.45
CES1 P23141 1/20 0.44

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
SCHEMBL6655754 0.85 MLYCD (0.49) MLYCDMAPTL3MBTL1CES1
SCHEMBL15000339 0.85 TP53 (0.58) MLYCDL3MBTL1GAA
SCHEMBL18419287 0.85 PKM (0.66) MLYCDMAPTRAB9AL3MBTL1NPC1
SCHEMBL22386745 0.85 MAPT (0.56) MAPTRAB9AL3MBTL1NPC1PKM
SCHEMBL15828758 0.83 MAPT (0.54) MAPTRAB9AL3MBTL1NPC1PKM
SCHEMBL8444552 0.81 PARP10 (0.59) MLYCDMAPTRAB9ANPC1PLK1
SCHEMBL7632127 0.81 KDM4E (0.52) MLYCDMAPTRAB9ANPC1
SCHEMBL7246449 0.81 TP53 (0.67) MLYCDGAA
SCHEMBL15000394 0.81 TP53 (0.67) MLYCDGAA
SCHEMBL7247487 0.81 TP53 (0.67) MLYCDGAA

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-20090291945-A1 CYSTEINE PROTEASE INHIBITORS TEIJIN PHARMA LIMITED (JP) 2009-11-26 US disclosed
US-20090291945-A1 CYSTEINE PROTEASE INHIBITORS TEIJIN PHARMA LIMITED (JP) 2009-11-26 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-20090291945-A1 CYSTEINE PROTEASE INHIBITORS CTSE, SPINT2, CTSF MLYCD 4298/4885MAPT 480/4885RAB9A 658/4885

“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.