SCHEMBL24334237

SCHEMBL24334237

CC(C)C(=O)N[C@H]1C[C@@](O)(C(F)(F)F)C1

nearest known ligand 0.32

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.32
TSHR P16473 1/20 0.32
POLB P06746 1/20 0.32
MTNR1A P48039 1/20 0.31
MTNR1B P49286 1/20 0.31
PDK2 Q15119 1/20 0.31
PKM P14618 1/20 0.31
KMT2A Q03164 1/20 0.31
HSD11B1 P28845 1/20 0.30

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
SCHEMBL22482090 0.79 ATM (0.37) MTNR1AMTNR1BPDK2HSD11B1
SCHEMBL22482082 0.79 ATM (0.37) MTNR1AMTNR1BPDK2HSD11B1
SCHEMBL19198696 0.79 IDO1 (0.38) TSHRPOLBMTNR1AMTNR1BKMT2A
SCHEMBL23573541 0.77 TNF (0.32) PKM
SCHEMBL23573544 0.77 TNF (0.32) PKM
SCHEMBL24159232 0.76 DGAT1 (0.31)
SCHEMBL16144283 0.76 POLB (0.37) TSHRPOLBMTNR1AMTNR1BKMT2A
SCHEMBL25854711 0.73 TSHR (0.33) TSHRPOLBMTNR1AMTNR1BKMT2A
SCHEMBL19913392 0.72 HSD11B1 (0.32) GAAHSD11B1
SCHEMBL19913395 0.72 HSD11B1 (0.32) GAAHSD11B1

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-20220119419-A1 BYCYCLIC JAK INHIBITORS AND USES THEREOF INSILICO MEDICINE IP LIMITED (HK) 2022-04-21 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-20220119419-A1 BYCYCLIC JAK INHIBITORS AND USES THEREOF JAK1, JAK2, JAK3 GAA 3433/4885TSHR 3851/4885POLB 2277/4885

“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.