SCHEMBL23900037

SCHEMBL23900037

COC(=O)c1ccc(C#CC2(O)CCN(C(=O)OC(C)(C)C)C2)cc1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.44
JAK2 O60674 1/20 0.42
JAK1 P23458 1/20 0.42
HDAC1 Q13547 2/20 0.41
HDAC6 Q9UBN7 2/20 0.41
HDAC8 Q9BY41 1/20 0.41
GPR183 P32249 1/20 0.41
GRM5 P41594 4/20 0.40
NR1H2 P55055 1/20 0.40
GRM3 Q14832 1/20 0.40
CRBN Q96SW2 1/20 0.40
HPGD P15428 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
GPR119 Q8TDV5 2/20 0.39
USP30 Q70CQ3 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL23883988 1.00 PKM (0.44) PKMJAK2JAK1HDAC1HDAC6
SCHEMBL23250136 0.85 USP30 (0.48) HDAC1HDAC6HDAC8GPR183GRM5
SCHEMBL27402284 0.83 MAPT (0.46) JAK2JAK1HDAC1HDAC6HDAC8
SCHEMBL23899816 0.82 PTPN11 (0.42) PKMJAK2JAK1HDAC1HDAC6
SCHEMBL4948857 0.80 HDAC1 (0.40) PKMJAK2JAK1HDAC1HDAC6
SCHEMBL5237507 0.78 GRM5 (0.49) JAK2JAK1HDAC1GPR183GRM5
SCHEMBL5119776 0.78 GRM5 (0.50) GPR183GRM5USP30
SCHEMBL5237125 0.78 GRM5 (0.47) PKMHDAC1HDAC6HDAC8GRM5
SCHEMBL30835992 0.76 MAPT (0.50) JAK2JAK1HDAC1HDAC6HDAC8
SCHEMBL9409426 0.76 PKM (0.48) PKMJAK2JAK1HDAC1HDAC6

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-20230159502-A1 INDOLE DERIVATIVES AS ALPHA-1-ANTITRYPSIN MODULATORS FOR TREATING ALPHA-1-ANTITRYPSIN DEFICIENCY (AATD) VERTEX PHARMACEUTICALS INCORPORATED 2023-05-25 US disclosed
CN-115916748-A Indole derivatives as alpha-1 antitrypsin modulators for the treatment of alpha-1 antitrypsin deficiency (AATD) 弗特克斯药品有限公司 2023-04-04 CN disclosed
EP-4132908-A1 INDOLE DERIVATIVES AS ALPHA-1 -ANTITRYPSIN MODULATORS FOR TREATING ALPHA-1 -ANTITRYPSIN DEFICIENCY (AATD) Vertex Pharmaceuticals Incorporated (US) 2023-02-15 EP disclosed
WO-2021203023-A1 INDOLE DERIVATIVES AS ALPHA-1 -ANTITRYPSIN MODULATORS FOR TREATING ALPHA-1 -ANTITRYPSIN DEFICIENCY (AATD) VERTEX PHARMACEUTICALS INCORPORATED (US) 2021-10-07 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 (1 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-20230159502-A1 INDOLE DERIVATIVES AS ALPHA-1-ANTITRYPSIN MODULATORS FOR TREATING ALPHA-1-ANTITRYPSIN DEFICIENCY (AATD) SERPINA2, SERPINB1, SERPINE1 PKM 4034/4885JAK2 2585/4885JAK1 1220/4885

“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.