SCHEMBL12716162

SCHEMBL12716162

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

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.50
▸ MAPT P10636 2/20 0.50
▸ ALDH1A1 P00352 1/20 0.50
▸ HTT P42858 1/20 0.50
▸ MAPK1 P28482 1/20 0.43
▸ CASP3 P42574 5/20 0.37
▸ CASP6 P55212 3/20 0.37
▸ CASP8 Q14790 3/20 0.37
▸ CASP7 P55210 1/20 0.37
▸ CTSV O60911 1/20 0.37
▸ CTSL P07711 1/20 0.37
▸ CTSB P07858 1/20 0.37
▸ CTSH P09668 1/20 0.37
▸ CTSS P25774 1/20 0.37
▸ CTSK P43235 1/20 0.37
▸ CTSF Q9UBX1 1/20 0.37
▸ TSHR P16473 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL12745899 0.86 KDM4E (0.48) KDM4EMAPTALDH1A1HTTMAPK1
SCHEMBL18215408 0.84 KDM4E (0.49) KDM4EMAPTALDH1A1HTTMAPK1
SCHEMBL22753433 0.81 KDM4E (0.47) KDM4EMAPTALDH1A1HTTMAPK1
SCHEMBL3216951 0.81 MAPT (0.50) KDM4EMAPTALDH1A1HTTMAPK1
SCHEMBL22307835 0.80 MAPT (0.46) KDM4EMAPTALDH1A1HTTMAPK1
SCHEMBL22307836 0.80 KDM4E (0.52) KDM4EMAPTALDH1A1HTTMAPK1
SCHEMBL22308325 0.78 MAPT (0.49) KDM4EMAPTALDH1A1HTTMAPK1
SCHEMBL18678090 0.78 KDM4E (0.44) KDM4EMAPTALDH1A1HTTMAPK1
SCHEMBL21361931 0.77 KDM4E (0.47) KDM4EMAPTALDH1A1HTTMAPK1
SCHEMBL3410954 0.77 MAPT (0.48) KDM4EMAPTALDH1A1HTTMAPK1

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-7923433-B2 Activity-based probes and methods of their preparation and use ACTIVX BIOSCIENCES, INC. (US) 2011-04-12 — — US disclosed
US-20070141624-A1 ACTIVITY-BASED PROBES AND METHODS OF THEIR PREPARATION ANS USE ACTIVX BIOSCIENCES, INC. 2007-06-21 — — 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-20070141624-A1 ACTIVITY-BASED PROBES AND METHODS OF THEIR PREPARATION ANS USE DNPEP, CTRL, ARSA KDM4E 4087/4885MAPT 2754/4885ALDH1A1 565/4885

“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.

Send feedback