SCHEMBL25858712

SCHEMBL25858712

CC(=O)NC1CC2(C1)CC(C(C)C)C2

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.36
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
ALOX15 P16050 1/20 0.33
DPP4 P27487 1/20 0.32
DPP8 Q6V1X1 1/20 0.32
TACR1 P25103 1/20 0.31
TACR3 P29371 1/20 0.31
MTNR1A P48039 1/20 0.31
MTNR1B P49286 1/20 0.31

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
SCHEMBL26139092 0.80 ALDH1A1 (0.38) ALDH1A1
SCHEMBL31493487 0.78 ATM (0.39) ATMKDM4EALDH1A1ALOX15MTNR1A
SCHEMBL31493477 0.76 ATM (0.38) ATMKDM4EALDH1A1ALOX15DPP4
SCHEMBL7894278 0.75 ATM (0.50) ATMKDM4EALDH1A1DPP4DPP8
SCHEMBL10217397 0.75 ATM (0.50) ATMKDM4EALDH1A1DPP4DPP8
SCHEMBL21161443 0.75 ATM (0.50) ATMKDM4EALDH1A1DPP4DPP8
SCHEMBL12303982 0.74 DPP4 (0.47) ATMKDM4EALDH1A1DPP4DPP8
SCHEMBL10216770 0.74 DPP4 (0.47) ATMKDM4EALDH1A1DPP4DPP8
SCHEMBL461983 0.74 DPP4 (0.47) ATMKDM4EALDH1A1DPP4DPP8
SCHEMBL31493463 0.74 ALDH1A1 (0.41) ATMKDM4EALDH1A1ALOX15MTNR1A

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-11702414-B2 Thiadiazole IRAK4 inhibitors GILEAD SCIENCES, INC. (US) 2023-07-18 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-11702414-B2 Thiadiazole IRAK4 inhibitors IRAK4, IRAK3, IRAK1 ATM 143/4885KDM4E 331/4885ALDH1A1 1763/4885

“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.