SCHEMBL20974071

SCHEMBL20974071

CC(C)(C)N(CCN1CC[C@@H](NC(=O)OCc2ccccc2)C1)C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CTSL P07711 1/20 0.54
▸ CTSB P07858 1/20 0.54
▸ CTSK P43235 1/20 0.54
▸ HSD11B1 P28845 1/20 0.48
▸ ALDH1A1 P00352 1/20 0.47
▸ GAA P10253 1/20 0.47
▸ TSHR P16473 1/20 0.46
▸ LTA4H P09960 2/20 0.46
▸ TGM2 P21980 3/20 0.44
▸ F13A1 P00488 2/20 0.44
▸ TGM1 P22735 2/20 0.44
▸ MEN1 O00255 2/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ DPP4 P27487 3/20 0.43
▸ KCNH2 Q12809 3/20 0.43
▸ DPP7 Q9UHL4 3/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ EPHX1 P07099 1/20 0.43
▸ GPR55 Q9Y2T6 1/20 0.42
▸ HTR1A P08908 1/20 0.42

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
SCHEMBL20974073 1.00 CTSL (0.54) CTSLCTSBCTSKHSD11B1ALDH1A1
SCHEMBL7369799 0.82 CTSL (0.64) CTSLCTSBCTSKHSD11B1ALDH1A1
SCHEMBL28249925 0.81 CTSK (0.60) CTSLCTSBCTSKHSD11B1ALDH1A1
SCHEMBL28688160 0.81 CTSL (0.55) CTSLCTSBCTSKHSD11B1ALDH1A1
SCHEMBL24261303 0.81 CTSL (0.65) CTSLCTSBCTSKHSD11B1ALDH1A1
SCHEMBL12217282 0.81 CTSL (0.65) CTSLCTSBCTSKHSD11B1ALDH1A1
SCHEMBL20974399 0.80 CTSL (0.54) CTSLCTSBCTSKHSD11B1ALDH1A1
SCHEMBL20479776 0.80 CTSL (0.54) CTSLCTSBCTSKHSD11B1ALDH1A1
SCHEMBL28688163 0.80 CTSL (0.54) CTSLCTSBCTSKHSD11B1ALDH1A1
SCHEMBL5692127 0.79 CTSL (0.67) CTSLCTSBCTSKHSD11B1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10544130-B2 Metallo-beta-lactamase inhibitors MERCK SHARP & DOHME CORP. (US) 2020-01-28 — — US disclosed
US-20190144432-A1 METALLO-BETA-LACTAMASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2019-05-16 — — 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 (2 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-10544130-B2 Metallo-beta-lactamase inhibitors MLX, ZFX, MMP12 CTSL 262/4885CTSB 297/4885CTSK 794/4885
US-20190144432-A1 METALLO-BETA-LACTAMASE INHIBITORS MLX, ZFX, MMP12 CTSL 262/4885CTSB 297/4885CTSK 794/4885

“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.

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