SCHEMBL22307836

SCHEMBL22307836

CC(C)NCC(=O)COc1c(F)c(F)cc(F)c1F

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.52
▸ ALDH1A1 P00352 1/20 0.52
▸ MAPT P10636 1/20 0.52
▸ HTT P42858 1/20 0.52
▸ MAPK1 P28482 1/20 0.45
▸ CASP3 P42574 13/20 0.41
▸ CASP6 P55212 10/20 0.41
▸ CASP8 Q14790 10/20 0.41
▸ CASP7 P55210 1/20 0.41
▸ CTSV O60911 1/20 0.41
▸ CTSL P07711 1/20 0.41
▸ CTSB P07858 1/20 0.41
▸ CTSH P09668 1/20 0.41
▸ CTSS P25774 1/20 0.41
▸ CTSK P43235 1/20 0.41
▸ CTSF Q9UBX1 1/20 0.41

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
SCHEMBL18215408 0.83 KDM4E (0.49) KDM4EALDH1A1MAPTHTTMAPK1
SCHEMBL22753433 0.80 KDM4E (0.47) KDM4EALDH1A1MAPTHTTMAPK1
SCHEMBL12716162 0.80 KDM4E (0.50) KDM4EALDH1A1MAPTHTTMAPK1
SCHEMBL3216951 0.80 MAPT (0.50) KDM4EALDH1A1MAPTHTTMAPK1
SCHEMBL22307313 0.80 MAPT (0.56) KDM4EALDH1A1MAPTHTTMAPK1
SCHEMBL22307835 0.79 MAPT (0.46) KDM4EALDH1A1MAPTHTTMAPK1
SCHEMBL12745899 0.78 KDM4E (0.48) KDM4EALDH1A1MAPTHTTMAPK1
SCHEMBL22308325 0.77 MAPT (0.49) KDM4EALDH1A1MAPTHTTMAPK1
SCHEMBL18678090 0.77 KDM4E (0.44) KDM4EALDH1A1MAPTHTTMAPK1
SCHEMBL21361931 0.76 KDM4E (0.47) KDM4EALDH1A1MAPTHTTMAPK1

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-11358940-B2 K-Ras modulators THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2022-06-14 — — US disclosed
US-20200247762-A1 K-RAS MODULATORS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2020-08-06 — — 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 (2 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-20200247762-A1 K-RAS MODULATORS KRAS, HRAS, NRAS KDM4E 1414/4885ALDH1A1 3564/4885MAPT 4697/4885
US-11358940-B2 K-Ras modulators KRAS, HRAS, NRAS KDM4E 2440/4885ALDH1A1 3111/4885MAPT 4372/4885

“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.

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