SCHEMBL19983215

SCHEMBL19983215

CN(C)CC(=O)[C@H](CCCCNC(=O)OC(C)(C)C)NC(=O)C1CCCC1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.45
KMT2A Q03164 6/20 0.45
ALDH1A1 P00352 1/20 0.45
HDAC4 P56524 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
ITGB3 P05106 8/20 0.42
ITGA2B P08514 8/20 0.42
TDP1 Q9NUW8 3/20 0.42
POLB P06746 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
GAA P10253 1/20 0.41
ATM Q13315 1/20 0.41
EPHX1 P07099 1/20 0.40

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
SCHEMBL19983214 1.00 MEN1 (0.45) MEN1KMT2AALDH1A1HDAC4HDAC1
SCHEMBL17646306 0.87 MEN1 (0.44) MEN1KMT2AALDH1A1HDAC4HDAC1
SCHEMBL19983275 0.87 MEN1 (0.44) MEN1KMT2AALDH1A1HDAC4HDAC1
SCHEMBL28344129 0.87 MEN1 (0.44) MEN1KMT2AALDH1A1HDAC4HDAC1
SCHEMBL25659953 0.86 TDP1 (0.44) MEN1KMT2AALDH1A1HDAC4HDAC1
SCHEMBL10670788 0.85 MEN1 (0.52) MEN1KMT2AALDH1A1ITGB3ITGA2B
SCHEMBL19982985 0.85 MEN1 (0.52) MEN1KMT2AALDH1A1ITGB3ITGA2B
SCHEMBL19665743 0.85 MEN1 (0.52) MEN1KMT2AALDH1A1ITGB3ITGA2B
SCHEMBL19982993 0.85 MEN1 (0.43) MEN1KMT2AALDH1A1HDAC4HDAC1
SCHEMBL23023506 0.84 ITGB3 (0.51) MEN1KMT2AALDH1A1ITGB3ITGA2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230142714-A1 KETONE INHIBITORS OF LYSINE GINGIPAIN Cortexyme, Inc. (US) 2023-05-11 US disclosed
US-20230142714-A1 KETONE INHIBITORS OF LYSINE GINGIPAIN Cortexyme, Inc. (US) 2023-05-11 US disclosed
US-11325884-B2 Ketone inhibitors of lysine gingipain Cortexyme, Inc. (US) 2022-05-10 US disclosed
US-20210053908-A1 KETONE INHIBITORS OF LYSINE GINGIPAIN Cortexyme, Inc. (US) 2021-02-25 US disclosed
US-10730826-B2 Ketone inhibitors of lysine gingipain Cortexyme, Inc. (US) 2020-08-04 US disclosed
US-20190210960-A1 KETONE INHIBITORS OF LYSINE GINGIPAIN Cortexyme, Inc. (US) 2019-07-11 US disclosed
WO-2018053353-A1 KETONE INHIBITORS OF LYSINE GINGIPAIN Cortexyme, Inc. (US) 2018-03-22 WO 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 (5 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-20210053908-A1 KETONE INHIBITORS OF LYSINE GINGIPAIN PHYKPL, ENPEP, PREP MEN1 1912/4885KMT2A 300/4885ALDH1A1 1494/4885
US-20230142714-A1 KETONE INHIBITORS OF LYSINE GINGIPAIN PHYKPL, ENPEP, PREP MEN1 1912/4885KMT2A 300/4885ALDH1A1 1494/4885
US-10730826-B2 Ketone inhibitors of lysine gingipain PHYKPL, ENPEP, PREP MEN1 1912/4885KMT2A 300/4885ALDH1A1 1494/4885
US-20190210960-A1 KETONE INHIBITORS OF LYSINE GINGIPAIN PHYKPL, ENPEP, PREP MEN1 1912/4885KMT2A 300/4885ALDH1A1 1494/4885
US-11325884-B2 Ketone inhibitors of lysine gingipain PHYKPL, ENPEP, PREP MEN1 1912/4885KMT2A 300/4885ALDH1A1 1494/4885

“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.