SCHEMBL29881733

SCHEMBL29881733

CC(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C=O)CC(=O)O)[C@@H](C)O

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ TASP1 Q9H6P5 1/20 0.44
▸ ALDH1A1 P00352 2/20 0.44
▸ CASP1 P29466 2/20 0.38
▸ EDNRA P25101 1/20 0.37
▸ PSMB5 P28074 2/20 0.36
▸ PSMB2 P49721 2/20 0.36
▸ PSMB8 P28062 1/20 0.36
▸ PSMB10 P40306 1/20 0.36
▸ GZMB P10144 2/20 0.36
▸ CAPN1 P07384 1/20 0.36
▸ PSMB1 P20618 1/20 0.35
▸ MME P08473 2/20 0.35

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
SCHEMBL29802264 0.84 TASP1 (0.51) TASP1CASP1
SCHEMBL29946268 0.82 TASP1 (0.51) TASP1ALDH1A1CASP1
SCHEMBL29923992 0.81 TASP1 (0.48) TASP1ALDH1A1CASP1EDNRACAPN1
SCHEMBL5493308 0.79 ALDH1A1 (0.55) ALDH1A1PSMB5PSMB2CAPN1PSMB1
SCHEMBL5493312 0.79 ALDH1A1 (0.55) ALDH1A1PSMB5PSMB2CAPN1PSMB1
SCHEMBL23924919 0.78 TASP1 (0.52) TASP1CASP1GZMB
SCHEMBL20257131 0.78 TASP1 (0.52) TASP1CASP1GZMB
SCHEMBL23132679 0.78 TASP1 (0.52) TASP1CASP1GZMB
SCHEMBL23133165 0.78 TASP1 (0.52) TASP1CASP1GZMB
SCHEMBL2381289 0.78 TASP1 (0.52) TASP1CASP1GZMB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12215356-B2 Methods of preparing a primary cell sample CELCUITY INC. (US) 2025-02-04 — — US disclosed
US-11845722-B2 Deuterated compounds and uses thereof ALDEYRA THERAPEUTICS, INC. (US) 2023-12-19 — — US disclosed
US-20230235293-A1 METHODS OF PREPARING A PRIMARY CELL SAMPLE OXFORD FINANCE LLC, AS COLLATERAL AGENT 2023-07-27 — — US disclosed
US-20230174491-A1 DEUTERATED COMPOUNDS AND USES THEREOF ALDEYRA THERAPEUTICS, INC. 2023-06-08 — — US disclosed
US-11591573-B2 Methods of preparing a primary cell sample CELCUITY INC. (US) 2023-02-28 — — US disclosed
US-11459300-B2 Deuterated compounds and uses thereof ALDEYRA THERAPEUTICS, INC. (US) 2022-10-04 — — 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 (3 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-11845722-B2 Deuterated compounds and uses thereof ALDH1A2, SSB, DBH TASP1 2942/4885ALDH1A1 11/4885CASP1 72/4885
US-20230174491-A1 DEUTERATED COMPOUNDS AND USES THEREOF ALDH1A2, SSB, DBH TASP1 2942/4885ALDH1A1 11/4885CASP1 72/4885
US-11459300-B2 Deuterated compounds and uses thereof ALDH1A2, SSB, DBH TASP1 2942/4885ALDH1A1 11/4885CASP1 72/4885

“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.

Send feedback