SCHEMBL16063752

SCHEMBL16063752

CC(=O)C(CCC(=O)O)NC(=O)OCc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.58
ALOX15 P16050 1/20 0.58
FOLH1 Q04609 4/20 0.57
CTSK P43235 3/20 0.54
CTSL P07711 3/20 0.53
CTSS P25774 2/20 0.53
CTSB P07858 1/20 0.53
CASP1 P29466 2/20 0.53
MME P08473 1/20 0.53
ECE1 P42892 1/20 0.53
HTT P42858 1/20 0.52
TACR1 P25103 2/20 0.51
KYNU Q16719 1/20 0.51

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
SCHEMBL10018763 1.00 ALDH1A1 (0.58) ALDH1A1ALOX15FOLH1CTSKCTSL
SCHEMBL16770327 0.93 CASP1 (0.59) ALDH1A1ALOX15FOLH1CTSLCASP1
SCHEMBL16384774 0.89 ALDH1A1 (0.56) ALDH1A1ALOX15CTSKCTSLCTSS
SCHEMBL20696435 0.89 ALDH1A1 (0.59) ALDH1A1ALOX15CTSKCTSLCTSS
SCHEMBL13503286 0.89 SMN1; SMN2 (0.57) ALDH1A1ALOX15CTSKCTSLCTSS
SCHEMBL6946904 0.89 CTSL (0.61) FOLH1CTSKCTSLCASP1MME
SCHEMBL221391 0.89 KYNU (0.60) ALDH1A1ALOX15FOLH1CTSKCTSL
SCHEMBL2777678 0.89 KYNU (0.60) ALDH1A1ALOX15FOLH1CTSKCTSL
SCHEMBL20211867 0.89 CTSL (0.61) FOLH1CTSKCTSLCASP1MME
SCHEMBL1025916 0.89 CTSL (0.61) FOLH1CTSKCTSLCASP1MME

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11912644-B2 Processes for the preparation of (S)-tert-butyl 4,5-diamino-5-oxopentanoate CELGENE CORPORATION (US) 2024-02-27 US disclosed
US-20230234914-A1 PROCESSES FOR THE PREPARATION OF (S)-TERT-BUTYL 4,5-DIAMINO-5-OXOPENTANOATE CELGENE CORPORATION 2023-07-27 US disclosed
US-20160031935-A1 SMALL MOLECULE MODULATORS OF PCSK9 AND METHODS OF USE THEREOF NUCHEM THERAPEUTICS (CA) 2016-02-04 US disclosed
WO-2014139008-A1 SMALL MOLECULE MODULATORS OF PCSK9 AND METHODS OF USE THEREOF ADAERATA, LIMITED PARTNERSHIP (CA) 2014-09-18 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 (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-20230234914-A1 PROCESSES FOR THE PREPARATION OF (S)-TERT-BUTYL 4,5-DIAMINO-5-OXOPENTANOATE UMPS, DHPS, NT5C3B ALDH1A1 1398/4885ALOX15 1195/4885FOLH1 2859/4885
US-20160031935-A1 SMALL MOLECULE MODULATORS OF PCSK9 AND METHODS OF USE THEREOF PCSK9, PCSK7, PCSK6 ALDH1A1 4355/4885ALOX15 733/4885FOLH1 1200/4885
US-11912644-B2 Processes for the preparation of (S)-tert-butyl 4,5-diamino-5-oxopentanoate UMPS, DHPS, NT5C3B ALDH1A1 1398/4885ALOX15 1195/4885FOLH1 2859/4885

“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.