SCHEMBL25867793

SCHEMBL25867793

CC(C)Nc1cncc(C(F)(F)F)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDH1 O75874 1/20 0.43
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
SLC22A6 Q4U2R8 1/20 0.42
SLC22A8 Q8TCC7 1/20 0.42
SLC22A12 Q96S37 1/20 0.42
SLC22A11 Q9NSA0 1/20 0.42
TAS2R14 Q9NYV8 1/20 0.42
TRPA1 O75762 2/20 0.40
GPR55 Q9Y2T6 1/20 0.40
AR P10275 1/20 0.40
SCN10A Q9Y5Y9 1/20 0.39
KIF11 P52732 1/20 0.39
KCNH3 Q9ULD8 1/20 0.38
BIRC3 Q13489 1/20 0.37
MALT1 Q9UDY8 1/20 0.37
KMT2A Q03164 1/20 0.37
IDH2 P48735 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
USP36 Q9P275 1/20 0.34

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
SCHEMBL7665646 0.79 CYP3A4 (0.45) IDH1CYP3A4CYP2C9SLC22A6SLC22A8
SCHEMBL19091527 0.78 TRPA1 (0.53) TRPA1ARKCNH3IDH2XPO1
Hydrochloric Acid SCHEMBL28527606 0.77 CYP3A4 (0.44) IDH1CYP3A4CYP2C9SLC22A6SLC22A8
SCHEMBL28111054 0.75 AR (0.52) CYP3A4CYP2C9SLC22A6SLC22A8SLC22A12
SCHEMBL10690353 0.75 CYP3A4 (0.45) IDH1CYP3A4CYP2C9SLC22A6SLC22A8
SCHEMBL11900495 0.75 CYP3A4 (0.45) CYP3A4CYP2C9SLC22A6SLC22A8SLC22A12
SCHEMBL24782865 0.74 CYP3A4 (0.42) CYP3A4CYP2C9SLC22A6SLC22A8SLC22A12
SCHEMBL18477982 0.72 TDP1 (0.38) CYP3A4SLC22A12GPR55KCNH3ALDH1A1
SCHEMBL3749196 0.72 CYP11B1 (0.43) CYP3A4CYP2C9SLC22A6SLC22A8SLC22A12
SCHEMBL633235 0.72 CA12 (0.58) CYP3A4CYP2C9TRPA1KMT2AIDH2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230233689-A1 Bifunctional Small Molecules to Target the Selective Degradation of Circulating Proteins UNIV YALE (US) 2023-07-27 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-20230233689-A1 Bifunctional Small Molecules to Target the Selective Degradation of Circulating Proteins ASGR1, LDLR, FCGR2A IDH1 2469/4885CYP3A4 2670/4885CYP2C9 2381/4885

“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.