SCHEMBL22277152

SCHEMBL22277152

CC(C)c1cc2cc(C(F)(F)F)ccc2s1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.39
SCN4A P35499 1/20 0.39
DYRK1A Q13627 2/20 0.38
PDE2A O00408 2/20 0.37
ILK Q13418 2/20 0.35
HDAC6 Q9UBN7 1/20 0.35
PTPN5 P54829 1/20 0.34
BACE1 P56817 1/20 0.34
CHRNA7 P36544 1/20 0.34
HTR3A P46098 1/20 0.34
PPARA Q07869 1/20 0.33
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
HTR2B P41595 1/20 0.33
CLK1 P49759 1/20 0.33
HRH4 Q9H3N8 1/20 0.33
PIM1 P11309 1/20 0.32
PIM2 Q9P1W9 1/20 0.32

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
SCHEMBL12263164 0.86 EPHX2 (0.42) EPHX2SCN4ADYRK1APDE2APTPN5
SCHEMBL13656195 0.84 ALDH1A1 (0.34) EPHX2
SCHEMBL27283911 0.81 PTPN1 (0.58) PTPN5
SCHEMBL11485496 0.79 DYRK1A (0.40) DYRK1APDE2AHDAC6CHRNA7HTR3A
SCHEMBL147798 0.77 EPHX2 (0.42) EPHX2SCN4ADYRK1AILKHDAC6
SCHEMBL18068128 0.77 TUBB4A (0.39) EPHX2DYRK1ACHRNA7HTR3A
SCHEMBL6337062 0.76 ALOX5 (0.64) EPHX2
SCHEMBL25807784 0.75 EPHX2 (0.41) EPHX2SCN4ADYRK1AILKHDAC6
SCHEMBL20887652 0.74 CYP2A6 (0.50) EPHX2HTR2B
SCHEMBL12294503 0.74 RAB9A (0.43) EPHX2SCN4AHDAC6PIM1PIM2

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-11168083-B2 Inhibitors of Plasma Kallikrein and uses thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2021-11-09 US disclosed
US-20200239463-A1 INHIBITORS OF PLASMA KALLIKREIN AND USES THEREOF DYAX CORP. (US) 2020-07-30 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-11168083-B2 Inhibitors of Plasma Kallikrein and uses thereof KLKB1, KLK1, KLK5 EPHX2 1251/4885SCN4A 3197/4885DYRK1A 2255/4885
US-20200239463-A1 INHIBITORS OF PLASMA KALLIKREIN AND USES THEREOF KLKB1, KLK1, KLK5 EPHX2 1251/4885SCN4A 3197/4885DYRK1A 2255/4885

“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.