SCHEMBL29045307

SCHEMBL29045307

CC(C)(C)OC(=O)CC(=O)C[C@@H](N)c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CTSK P43235 3/20 0.41
CTSS P25774 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.39
ATM Q13315 1/20 0.39
MAPT P10636 2/20 0.38
ALDH1A1 P00352 1/20 0.38
PTPRC P08575 2/20 0.38
KMT2A Q03164 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL29045309 1.00 CTSK (0.41) CTSKCTSSL3MBTL1ATMMAPT
SCHEMBL1573827 0.88 CTSS (0.42) CTSKCTSSL3MBTL1MAPTALDH1A1
SCHEMBL1952090 0.88 CTSS (0.42) CTSKCTSSL3MBTL1MAPTALDH1A1
SCHEMBL469053 0.88 CTSS (0.42) CTSKCTSSL3MBTL1MAPTALDH1A1
SCHEMBL9420598 0.84 RIPK1 (0.46) CTSKCTSSL3MBTL1ATMMAPT
Hydrochloric Acid SCHEMBL28325626 0.83 ALDH1A1 (0.47) ALDH1A1KMT2ASMN1; SMN2
SCHEMBL30541300 0.79 PTGS2 (0.42) CTSKCTSSMAPT
SCHEMBL8704232 0.79 CTSS (0.39) CTSKCTSSL3MBTL1ATMMAPT
SCHEMBL28368840 0.79 PTGS2 (0.42) CTSKCTSSMAPT
SCHEMBL27636809 0.79 CTSS (0.39) CTSKCTSSL3MBTL1ATMMAPT

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-12421249-B2 Inhibitors of APOL1 and methods of using same VERTEX PHARMACEUTICALS INCORPORATED (US) 2025-09-23 US disclosed
US-20240368180-A1 INHIBITORS OF APOL1 AND METHODS OF USING SAME VERTEX PHARMACEUTICALS INCORPORATED 2024-11-07 US disclosed
US-11866446-B2 Inhibitors of APOL1 and methods of using same VERTEX PHARMACEUTICALS INCORPORATED (US) 2024-01-09 US disclosed
CN-116547287-A Inhibitors of APOL1 and methods of use thereof 弗特克斯药品有限公司 2023-08-04 CN disclosed
EP-4204423-A1 INHIBITORS OF APOL1 AND METHODS OF USING SAME Vertex Pharmaceuticals Incorporated (US) 2023-07-05 EP disclosed
US-20220106327-A1 INHIBITORS OF APOL1 AND METHODS OF USING SAME VERTEX PHARMACEUTICALS INCORPORATED (US) 2022-04-07 US disclosed
WO-2022047031-A1 INHIBITORS OF APOL1 AND METHODS OF USING SAME VERTEX PHARMACEUTICALS INCORPORATED (US) 2022-03-03 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 (4 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-20220106327-A1 INHIBITORS OF APOL1 AND METHODS OF USING SAME APOL1, PNLIP, APOB CTSK 575/4885CTSS 632/4885L3MBTL1 2086/4885
US-12421249-B2 Inhibitors of APOL1 and methods of using same APOL1, PNLIP, APOB CTSK 575/4885CTSS 632/4885L3MBTL1 2086/4885
US-20240368180-A1 INHIBITORS OF APOL1 AND METHODS OF USING SAME APOL1, PNLIP, APOB CTSK 575/4885CTSS 632/4885L3MBTL1 2086/4885
US-11866446-B2 Inhibitors of APOL1 and methods of using same APOL1, PNLIP, APOB CTSK 575/4885CTSS 632/4885L3MBTL1 2086/4885

“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.