SCHEMBL24657652

SCHEMBL24657652

CC(C)(S)c1ccc2ccc(C(F)(F)F)cc2c1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 1/20 0.43
PTPN1 P18031 3/20 0.41
KIF11 P52732 3/20 0.39
METAP2 P50579 1/20 0.39
ESR1 P03372 1/20 0.36
PTPN5 P54829 1/20 0.35
KDM4E B2RXH2 1/20 0.35
PDE2A O00408 3/20 0.35
PIM1 P11309 1/20 0.35
PIM2 Q9P1W9 1/20 0.35
CCNE2 O96020 1/20 0.35
CCNA2 P20248 1/20 0.35
CCNE1 P24864 1/20 0.35
CDK2 P24941 1/20 0.35
CCNA1 P78396 1/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 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
SCHEMBL18210644 0.83 KIF11 (0.55) BACE1PTPN1KIF11METAP2ESR1
SCHEMBL19503779 0.78 TSHR (0.50) ESR1MEN1KMT2A
SCHEMBL25961076 0.78 PTPN1 (0.46) PTPN1
SCHEMBL21566844 0.77 ALDH1A1 (0.46) KIF11
SCHEMBL12895889 0.77 BACE1 (0.52) BACE1PTPN1KIF11METAP2ESR1
SCHEMBL12895896 0.77 BACE1 (0.52) BACE1PTPN1KIF11METAP2ESR1
SCHEMBL18210778 0.77 CYP2A6 (0.61) BACE1PTPN1KIF11METAP2
SCHEMBL7588186 0.77 BACE1 (0.56) BACE1PTPN1KIF11METAP2ESR1
SCHEMBL1538767 0.73 PTPN1 (0.59) BACE1PTPN1KIF11METAP2ESR1
SCHEMBL30706974 0.73 PTPN1 (0.59) BACE1PTPN1KIF11METAP2ESR1

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-20220332713-A1 Monoacylglycerol Lipase Modulators JANSSEN PHARMACEUTICA NV (BE) 2022-10-20 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-20220332713-A1 Monoacylglycerol Lipase Modulators MGLL, LPL, PNLIP BACE1 1832/4885PTPN1 4046/4885KIF11 2411/4885

“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.