SCHEMBL21492669

SCHEMBL21492669

[2H]C([2H])([2H])N(C(=O)OCc1ccccc1)[C@@H](C)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.47
▸ ABCB1 P08183 2/20 0.47
▸ LTA4H P09960 1/20 0.44
▸ L3MBTL1 Q9Y468 2/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ SLC6A2 P23975 1/20 0.42
▸ SLC6A3 Q01959 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ TDP1 Q9NUW8 1/20 0.42
▸ SIGMAR1 Q99720 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ SLC15A1 P46059 1/20 0.41
▸ LMNA P02545 1/20 0.40
▸ POLB P06746 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ CTSL P07711 1/20 0.40
▸ CTSB P07858 1/20 0.40
▸ CTSS P25774 1/20 0.40
▸ CTSK P43235 1/20 0.40

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
SCHEMBL21492202 1.00 ALDH1A1 (0.47) ALDH1A1ABCB1LTA4HL3MBTL1MAPK1
SCHEMBL21494135 0.90 ABCB1 (0.43) ALDH1A1ABCB1LTA4HL3MBTL1KMT2A
SCHEMBL7404261 0.89 ABCB1 (0.53) ALDH1A1ABCB1LTA4HL3MBTL1MAPK1
SCHEMBL381082 0.89 ABCB1 (0.53) ALDH1A1ABCB1LTA4HL3MBTL1MAPK1
SCHEMBL381080 0.89 ABCB1 (0.53) ALDH1A1ABCB1LTA4HL3MBTL1MAPK1
SCHEMBL23893394 0.84 LTA4H (0.52) ALDH1A1ABCB1LTA4HL3MBTL1MAPK1
SCHEMBL8043863 0.81 ALDH1A1 (0.53) ALDH1A1ABCB1L3MBTL1MAPK1SLC6A2
SCHEMBL8276259 0.80 ABCB1 (0.56) ALDH1A1ABCB1L3MBTL1MAPK1SLC6A2
SCHEMBL17343085 0.79 ALDH1A1 (0.44) ALDH1A1ABCB1L3MBTL1MAPK1SLC6A2
SCHEMBL19357462 0.79 ABCB1 (0.52) ALDH1A1ABCB1L3MBTL1MAPK1SLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12384790-B2 Pteridinone compounds and uses thereof VERTEX PHARMACEUTICALS INCORPORATED (US) 2025-08-12 — — US disclosed
EP-3784669-B1 PTERIDINONE COMPOUNDS AND USES THEREOF VERTEX PHARMA (US) 2023-10-25 — — EP disclosed
US-20230312587-A1 PTERIDINONE COMPOUNDS AND USES THEREOF VERTEX PHARMACEUTICALS INCORPORATED 2023-10-05 — — US disclosed
US-11572364-B2 Pteridinone compounds and uses thereof VERTEX PHARMACEUTICALS INCORPORATED (US) 2023-02-07 — — US disclosed
US-20220363685-A1 PTERIDINONE COMPOUNDS AND USES THEREOF VERTEX PHARMACEUTICALS INCORPORATED 2022-11-17 — — US disclosed
US-11059826-B2 Pteridinone compounds and uses thereof VERTEX PHARMACEUTICALS INCORPORATED (US) 2021-07-13 — — US disclosed
EP-3784669-A1 PTERIDINONE COMPOUNDS AND USES THEREOF Vertex Pharmaceuticals Incorporated (US) 2021-03-03 — — EP disclosed
CN-112218865-A Pteridinone compounds and uses thereof 沃泰克斯药物股份有限公司 2021-01-12 — — CN disclosed
US-20190322673-A1 PTERIDINONE COMPOUNDS AND USES THEREOF VERTEX PHARMACEUTICALS INCORPORATED 2019-10-24 — — 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 (6 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-11572364-B2 Pteridinone compounds and uses thereof DPYD, PKD1, TYMP ALDH1A1 569/4885ABCB1 1192/4885LTA4H 2894/4885
US-20190322673-A1 PTERIDINONE COMPOUNDS AND USES THEREOF DPYD, PKD1, TYMP ALDH1A1 569/4885ABCB1 1192/4885LTA4H 2894/4885
US-11059826-B2 Pteridinone compounds and uses thereof DPYD, PKD1, TYMP ALDH1A1 569/4885ABCB1 1192/4885LTA4H 2894/4885
US-20220363685-A1 PTERIDINONE COMPOUNDS AND USES THEREOF DPYD, PKD1, TYMP ALDH1A1 569/4885ABCB1 1192/4885LTA4H 2894/4885
US-20230312587-A1 PTERIDINONE COMPOUNDS AND USES THEREOF DPYD, PKD1, TYMP ALDH1A1 569/4885ABCB1 1192/4885LTA4H 2894/4885
US-12384790-B2 Pteridinone compounds and uses thereof DPYD, PKD1, TYMP ALDH1A1 569/4885ABCB1 1192/4885LTA4H 2894/4885

“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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