SCHEMBL23887945

SCHEMBL23887945

COC(=O)C1CCC(I)CC1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 1/20 0.47
▸ SMN1; SMN2 Q16637 3/20 0.44
▸ CHRNB2 P17787 2/20 0.42
▸ CHRNA4 P43681 2/20 0.42
▸ CHRNB4 P30926 1/20 0.42
▸ CHRNA3 P32297 1/20 0.42
▸ CHRNA7 P36544 1/20 0.42
▸ POLB P06746 1/20 0.41
▸ GAA P10253 1/20 0.41
▸ PPM1B O75688 1/20 0.39
▸ PTPN1 P18031 1/20 0.39
▸ PPP1CC P36873 1/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ BRD4 O60885 1/20 0.38
▸ ALDH1A1 P00352 2/20 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
SCHEMBL12181021 1.00 TP53 (0.47) TP53SMN1; SMN2CHRNB2CHRNA4CHRNB4
SCHEMBL244740 0.87 — —
SCHEMBL2200767 0.87 TP53 (0.56) TP53SMN1; SMN2CHRNB2CHRNA4CHRNB4
SCHEMBL2948892 0.87 TP53 (0.56) TP53SMN1; SMN2CHRNB2CHRNA4CHRNB4
SCHEMBL74396 0.87 TP53 (0.56) TP53SMN1; SMN2CHRNB2CHRNA4CHRNB4
Hydrochloric Acid SCHEMBL6271997 0.85 — —
Methyl Alcohol SCHEMBL27845135 0.85 TP53 (0.54) TP53SMN1; SMN2CHRNB2CHRNA4CHRNB4
SCHEMBL8610883 0.85 TP53 (0.54) TP53SMN1; SMN2CHRNB2CHRNA4CHRNB4
Ethylene SCHEMBL11226332 0.82 TP53 (0.52) TP53SMN1; SMN2CHRNB2CHRNA4CHRNB4
Ethylene SCHEMBL27716391 0.82 — —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4323369-A1 THIENOPYRROLE COMPOUNDS GILEAD SCIENCES, INC. (US) 2024-02-21 — — EP disclosed
CN-117120450-A Thienopyrrole compounds 吉利德科学公司 2023-11-24 — — CN disclosed
US-20230365594-A1 THIENOPYRROLE COMPOUNDS GILEAD SCIENCES, INC. 2023-11-16 — — US disclosed
US-20230365594-A1 THIENOPYRROLE COMPOUNDS GILEAD SCIENCES, INC. 2023-11-16 — — US disclosed
US-20230365594-A1 THIENOPYRROLE COMPOUNDS GILEAD SCIENCES, INC. 2023-11-16 — — US disclosed
US-11661431-B2 Thienopyrrole compounds GILEAD SCIENCES, INC. (US) 2023-05-30 — — US disclosed
US-11661431-B2 Thienopyrrole compounds GILEAD SCIENCES, INC. (US) 2023-05-30 — — US disclosed
US-11661431-B2 Thienopyrrole compounds GILEAD SCIENCES, INC. (US) 2023-05-30 — — US disclosed
US-20230159580-A1 PYRROLO[2,3-F]INDAZOLE AND 2,4,5,10-TETRAZATRICYCLO[7.3.0.03,7]DODECA-1,3(7),5,8,11-PENTAENE DERIVATIVES AS ALPHA-1-ANTITRYPSIN MODULATORS FOR TREATING ALPHA-1-ANTITRYPSIN DEFICIENCY (AATD) VERTEX PHARMACEUTICALS INCORPORATED 2023-05-25 — — US disclosed
US-20230159580-A1 PYRROLO[2,3-F]INDAZOLE AND 2,4,5,10-TETRAZATRICYCLO[7.3.0.03,7]DODECA-1,3(7),5,8,11-PENTAENE DERIVATIVES AS ALPHA-1-ANTITRYPSIN MODULATORS FOR TREATING ALPHA-1-ANTITRYPSIN DEFICIENCY (AATD) VERTEX PHARMACEUTICALS INCORPORATED 2023-05-25 — — US disclosed
US-20230159580-A1 PYRROLO[2,3-F]INDAZOLE AND 2,4,5,10-TETRAZATRICYCLO[7.3.0.03,7]DODECA-1,3(7),5,8,11-PENTAENE DERIVATIVES AS ALPHA-1-ANTITRYPSIN MODULATORS FOR TREATING ALPHA-1-ANTITRYPSIN DEFICIENCY (AATD) VERTEX PHARMACEUTICALS INCORPORATED 2023-05-25 — — US disclosed
EP-4126877-A1 PYRROLO[2,3-F]INDAZOLE AND 2,4,5,10-TETRAZATRICYCLO[7.3.0.03,7]DODECA-1,3(7),5,8,11-PENTAENE DERIVATIVES AS ALPHA-1-ANTITRYPSIN MODULATORS FOR TREATING ALPHA-1-ANTITRYPSIN DEFICIENCY (AATD) Vertex Pharmaceuticals Incorporated (US) 2023-02-08 — — EP disclosed
US-20220389034-A1 THIENOPYRROLE COMPOUNDS GILEAD SCIENCES, INC. 2022-12-08 — — US disclosed
US-20220389034-A1 THIENOPYRROLE COMPOUNDS GILEAD SCIENCES, INC. 2022-12-08 — — US disclosed
WO-2022221642-A1 THIENOPYRROLE COMPOUNDS GILEAD SCIENCES, INC. (US) 2022-10-20 — — WO disclosed
WO-2022221642-A1 THIENOPYRROLE COMPOUNDS GILEAD SCIENCES, INC. (US) 2022-10-20 — — WO disclosed
WO-2021203010-A1 PYRROLO[2,3-F]INDAZOLE AND 2,4,5,10-TETRAZATRICYCLO[7.3.0.03,7]DODECA-1,3(7),5,8,11-PENTAENE DERIVATIVES AS ALPHA-1-ANTITRYPSIN MODULATORS FOR TREATING ALPHA-1-ANTITRYPSIN DEFICIENCY (AATD) VERTEX PHARMACEUTICALS INCORPORATED (US) 2021-10-07 — — WO disclosed
WO-2021203010-A1 PYRROLO[2,3-F]INDAZOLE AND 2,4,5,10-TETRAZATRICYCLO[7.3.0.03,7]DODECA-1,3(7),5,8,11-PENTAENE 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 (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-20230365594-A1 THIENOPYRROLE COMPOUNDS SSB, TPMT, LCP2 TP53 1697/4885SMN1; SMN2 4502/4885CHRNB2 4832/4885
US-11661431-B2 Thienopyrrole compounds SSB, TPMT, LCP2 TP53 1697/4885SMN1; SMN2 4502/4885CHRNB2 4832/4885
US-20220389034-A1 THIENOPYRROLE COMPOUNDS SSB, TPMT, LCP2 TP53 1697/4885SMN1; SMN2 4502/4885CHRNB2 4832/4885
US-20230159580-A1 PYRROLO[2,3-F]INDAZOLE AND 2,4,5,10-TETRAZATRICYCLO[7.3.0.03,7]DODECA-1,3(7),5,8,11-PENTAENE DERIVATIVES AS ALPHA-1-ANTITRYPSIN MODULATORS FOR TREATING ALPHA-1-ANTITRYPSIN DEFICIENCY (AATD) SERPINA2, SERPINA3, SERPINC1 TP53 3313/4885SMN1; SMN2 3686/4885CHRNB2 2952/4885

“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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