SCHEMBL21200929

SCHEMBL21200929

COC(=O)c1ccc(NC=C2C(=O)OC(C)(C)OC2=O)cc1F

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 18/20 0.58
TSHR P16473 1/20 0.58
HSD17B10 Q99714 3/20 0.55
MAPK1 P28482 1/20 0.55
CYP1A2 P05177 2/20 0.54
CYP3A4 P08684 2/20 0.54
RAB9A P51151 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.50
CASP1 P29466 1/20 0.47
CASP7 P55210 1/20 0.47
KDM4E B2RXH2 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.43
NPSR1 Q6W5P4 1/20 0.41

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
SCHEMBL30905503 0.89 ALDH1A1 (0.59) ALDH1A1TSHRHSD17B10MAPK1CYP1A2
SCHEMBL30905509 0.89 ALDH1A1 (0.59) ALDH1A1TSHRHSD17B10MAPK1CYP1A2
SCHEMBL1890105 0.86 ALDH1A1 (0.59) ALDH1A1TSHRHSD17B10MAPK1CYP1A2
SCHEMBL22766451 0.85 ALDH1A1 (0.55) ALDH1A1TSHRHSD17B10MAPK1CYP1A2
SCHEMBL6004614 0.85 ALDH1A1 (0.55) ALDH1A1TSHRHSD17B10MAPK1CYP1A2
SCHEMBL6004820 0.85 ALDH1A1 (0.58) ALDH1A1TSHRHSD17B10MAPK1CYP1A2
SCHEMBL21200952 0.84 ALDH1A1 (0.56) ALDH1A1TSHRHSD17B10MAPK1CYP1A2
SCHEMBL30616279 0.83 ALDH1A1 (0.59) ALDH1A1TSHRHSD17B10MAPK1CYP1A2
SCHEMBL2174228 0.83 ALDH1A1 (0.59) ALDH1A1TSHRHSD17B10MAPK1CYP1A2
SCHEMBL27402291 0.81 ALDH1A1 (0.51) ALDH1A1TSHRHSD17B10MAPK1CYP1A2

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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12624028-B2 1H-pyrazolo[4,3-G]isoquinoline and 1H-pyrazolo[4,3-g]quinoline derivatives as alpha-1-antitrypsin modulators for treating alpha-1-antitrypsin deficiency (AATD) VERTEX PHARMACEUTICALS INCORPORATED (US) 2026-05-12 US disclosed
EP-4647127-A2 COMPOUNDS FOR THE TREATMENT OF KINASE-DEPENDENT DISORDERS Exelixis, Inc. (US) 2025-11-12 EP disclosed
EP-4622970-A1 INHIBITORS OF RIPK2 AND MEDICAL USES THEREOF ODYSSEY THERAPEUTICS, INC. (US) 2025-10-01 EP disclosed
EP-3743070-B1 COMPOUNDS FOR THE TREATMENT OF KINASE-DEPENDENT DISORDERS EXELIXIS INC (US) 2025-07-23 EP disclosed
WO-2024112854-A1 INHIBITORS OF RIPK2 AND MEDICAL USES THEREOF ODYSSEY THERAPEUTICS, INC. (US) 2024-05-30 WO disclosed
WO-2024112854-A1 INHIBITORS OF RIPK2 AND MEDICAL USES THEREOF ODYSSEY THERAPEUTICS, INC. (US) 2024-05-30 WO disclosed
CN-117820226-A Compounds for the treatment of kinase dependent disorders 埃克塞里艾克西斯公司 2024-04-05 CN disclosed
CN-117603138-A Compounds for the treatment of kinase dependent disorders 埃克塞里艾克西斯公司 2024-02-27 CN disclosed
US-20240043414-A1 Compounds for the Treatment of Kinase-Dependent Disorders EXELIXIS, INC. 2024-02-08 US disclosed
CN-117402114-A Compounds for the treatment of kinase dependent disorders 埃克塞里艾克西斯公司 2024-01-16 CN disclosed
EP-4126863-A1 1 H-PYRAZOLO[4,3-G]ISOQUINOLINE AND 1 H-PYRAZOLO[4,3-G]QUINOLINE DERIVATIVES AS ALPHA-1 -ANTITRYPSIN MODULATORS FOR TREATING ALPHA-1 -ANTITRYPSIN DEFICIENCY (AATD) Vertex Pharmaceuticals Incorporated (US) 2023-02-08 EP disclosed
US-11542259-B2 Compounds for the treatment of kinase-dependent disorders EXELIXIS, INC. (US) 2023-01-03 US disclosed
US-11542259-B2 Compounds for the treatment of kinase-dependent disorders EXELIXIS, INC. (US) 2023-01-03 US disclosed
WO-2021203025-A1 1 H-PYRAZOLO[4,3-G]ISOQUINOLINE AND 1 H-PYRAZOLO[4,3-G]QUINOLINE DERIVATIVES AS ALPHA-1 -ANTITRYPSIN MODULATORS FOR TREATING ALPHA-1 -ANTITRYPSIN DEFICIENCY (AATD) VERTEX PHARMACEUTICALS INCORPORATED (US) 2021-10-07 WO disclosed
WO-2021203025-A1 1 H-PYRAZOLO[4,3-G]ISOQUINOLINE AND 1 H-PYRAZOLO[4,3-G]QUINOLINE DERIVATIVES AS ALPHA-1 -ANTITRYPSIN MODULATORS FOR TREATING ALPHA-1 -ANTITRYPSIN DEFICIENCY (AATD) VERTEX PHARMACEUTICALS INCORPORATED (US) 2021-10-07 WO disclosed
US-20210040076-A1 Compounds for the Treatment of Kinase-Dependent Disorders EXELIXIS, INC. 2021-02-11 US disclosed
US-20210040076-A1 Compounds for the Treatment of Kinase-Dependent Disorders EXELIXIS, INC. 2021-02-11 US disclosed
EP-3743070-A1 COMPOUNDS FOR THE TREATMENT OF KINASE-DEPENDENT DISORDERS Exelixis, Inc. (US) 2020-12-02 EP disclosed
CN-111757735-A Compounds for the treatment of kinase-dependent disorders 埃克塞里艾克西斯公司 2020-10-09 CN disclosed
WO-2019148044-A1 COMPOUNDS FOR THE TREATMENT OF KINASE-DEPENDENT DISORDERS EXELIXIS, INC. (US) 2019-08-01 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-11542259-B2 Compounds for the treatment of kinase-dependent disorders ERBB2, MAP3K6, MAP3K1 ALDH1A1 3310/4885TSHR 1037/4885HSD17B10 3135/4885
US-20210040076-A1 Compounds for the Treatment of Kinase-Dependent Disorders ERBB2, MAP3K6, MAP3K1 ALDH1A1 3310/4885TSHR 1037/4885HSD17B10 3135/4885
US-12624028-B2 1H-pyrazolo[4,3-G]isoquinoline and 1H-pyrazolo[4,3-g]quinoline derivatives as alpha-1-antitrypsin modulators for treating alpha-1-antitrypsin deficiency (AATD) SERPINA2, SERPINC1, SERPINH1 ALDH1A1 2048/4885TSHR 475/4885HSD17B10 1065/4885
US-20240043414-A1 Compounds for the Treatment of Kinase-Dependent Disorders ERBB2, MAP3K6, MAP3K1 ALDH1A1 3310/4885TSHR 1037/4885HSD17B10 3135/4885

“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.