SCHEMBL23036707

SCHEMBL23036707

CCOC(=O)C1CC(=O)C(NC(=O)OC(C)(C)C)C1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.46
▸ KMT2A Q03164 3/20 0.46
▸ MEN1 O00255 2/20 0.46
▸ TSHR P16473 1/20 0.46
▸ GAA P10253 2/20 0.44
▸ NFKB1 P19838 3/20 0.40
▸ NFKB2 Q00653 3/20 0.40
▸ RELA Q04206 3/20 0.40
▸ BTK Q06187 1/20 0.39
▸ CTSL P07711 1/20 0.35
▸ MAPT P10636 2/20 0.35
▸ MAOA P21397 1/20 0.35
▸ MAOB P27338 1/20 0.35
▸ KDM4E B2RXH2 2/20 0.34
▸ HPGD P15428 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34

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
SCHEMBL22661081 1.00 ALDH1A1 (0.46) ALDH1A1KMT2AMEN1TSHRGAA
SCHEMBL22645710 1.00 ALDH1A1 (0.46) ALDH1A1KMT2AMEN1TSHRGAA
SCHEMBL31601434 1.00 ALDH1A1 (0.46) ALDH1A1KMT2AMEN1TSHRGAA
SCHEMBL22645711 1.00 ALDH1A1 (0.46) ALDH1A1KMT2AMEN1TSHRGAA
SCHEMBL30279188 0.88 ALDH1A1 (0.46) ALDH1A1KMT2AMEN1TSHRGAA
SCHEMBL28803526 0.88 ALDH1A1 (0.46) ALDH1A1KMT2AMEN1TSHRGAA
SCHEMBL31500135 0.86 GAA (0.48) GAANFKB1NFKB2RELABTK
SCHEMBL28537514 0.81 BTK (0.54) KMT2AGAANFKB1NFKB2RELA
SCHEMBL28540918 0.81 BTK (0.54) KMT2AGAANFKB1NFKB2RELA
SCHEMBL30596812 0.80 BTK (0.47) KMT2AGAANFKB1NFKB2RELA

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
EP-3784649-A1 PROCESS FOR THE SYNTHESIS OF (S)-3-AMINO-4-(DIFLUOROMETHYLENYL)CYCLOPENT-1-ENE-1-CARBOXYLIC ACID Northwestern University (US) 2021-03-03 — — EP claimed
US-20260035335-A1 PI3K-ALPHA INHIBITORS AND METHODS OF USE THEREOF RELAY THERAPEUTICS INC (US) 2026-02-05 — — US disclosed
US-20250313524-A1 PI3K-ALPHA INHIBITORS AND METHODS OF USE THEREOF RELAY THERAPEUTICS, INC. 2025-10-09 — — US disclosed
EP-4522583-A2 PI3K ALPHA INHIBITORS AND METHODS OF USE THEREOF Relay Therapeutics, Inc. (US) 2025-03-19 — — EP disclosed
CN-119486992-A PI3K alpha inhibitors and methods of use thereof 传达治疗有限公司 2025-02-18 — — CN disclosed
WO-2023220131-A2 PI3Kα INHIBITORS AND METHODS OF USE THEREOF RELAY THERAPEUTICS, INC. (US) 2023-11-16 — — WO disclosed
WO-2023220131-A2 PI3Kα INHIBITORS AND METHODS OF USE THEREOF RELAY THERAPEUTICS, INC. (US) 2023-11-16 — — 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 (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-20250313524-A1 PI3K-ALPHA INHIBITORS AND METHODS OF USE THEREOF PIK3CA, PIK3CB, PIK3CD ALDH1A1 3698/4885KMT2A 2974/4885MEN1 3701/4885
US-20260035335-A1 PI3K-ALPHA INHIBITORS AND METHODS OF USE THEREOF PIK3CD, PIK3CG, PIK3CB ALDH1A1 4597/4885KMT2A 3086/4885MEN1 3966/4885

“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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