SCHEMBL17672194

SCHEMBL17672194

COc1ccc(CC(=O)c2cc(C)sc2C)cc1

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 6/20 0.56
▸ NPC1 O15118 3/20 0.56
▸ RAB9A P51151 3/20 0.56
▸ ALDH1A1 P00352 2/20 0.56
▸ KMT2A Q03164 2/20 0.56
▸ MEN1 O00255 1/20 0.56
▸ CYP3A4 P08684 1/20 0.56
▸ HPGD P15428 1/20 0.56
▸ ATM Q13315 1/20 0.56
▸ USP2 O75604 1/20 0.55
▸ TP53 P04637 1/20 0.55
▸ MAPT P10636 2/20 0.54
▸ HSP90AA1 P07900 1/20 0.53
▸ HTT P42858 3/20 0.48
▸ LMNA P02545 2/20 0.48
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ CTBP2 P56545 1/20 0.43

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
SCHEMBL22023647 0.82 MAPT (0.43) SMN1; SMN2NPC1RAB9AALDH1A1KMT2A
SCHEMBL24264489 0.79 LMNA (0.49) RAB9AALDH1A1KMT2AMEN1HPGD
SCHEMBL27588132 0.79 MAPT (0.51) SMN1; SMN2NPC1RAB9AALDH1A1KMT2A
SCHEMBL1346046 0.77 SMN1; SMN2 (0.64) SMN1; SMN2NPC1RAB9AALDH1A1KMT2A
SCHEMBL4779632 0.76 SMN1; SMN2 (0.62) SMN1; SMN2NPC1RAB9AALDH1A1KMT2A
SCHEMBL224315 0.74 NPC1 (0.83) SMN1; SMN2NPC1RAB9AALDH1A1KMT2A
SCHEMBL11365372 0.74 SMN1; SMN2 (0.64) SMN1; SMN2NPC1RAB9AALDH1A1KMT2A
SCHEMBL16324583 0.74 HTT (0.67) SMN1; SMN2NPC1RAB9AALDH1A1KMT2A
SCHEMBL224762 0.74 NPC1 (0.88) SMN1; SMN2NPC1RAB9AALDH1A1KMT2A
SCHEMBL29586231 0.73 HSP90AA1 (0.64) SMN1; SMN2NPC1RAB9AALDH1A1KMT2A

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
US-20250002519-A1 NOVEL PRECATALYST SCAFFOLDS FOR CROSS-COUPLING REACTIONS, AND METHODS OF MAKING AND USING SAME UNIV YALE (US) 2025-01-02 — — US disclosed
US-12071445-B2 Precatalyst scaffolds for cross-coupling reactions, and methods of making and using same YALE UNIVERSITY (US) 2024-08-27 — — US disclosed
US-20230203077-A1 NOVEL PRECATALYST SCAFFOLDS FOR CROSS-COUPLING REACTIONS, AND METHODS OF MAKING AND USING SAME NATIONAL SCIENCE FOUNDATION 2023-06-29 — — US disclosed
US-20230203077-A1 NOVEL PRECATALYST SCAFFOLDS FOR CROSS-COUPLING REACTIONS, AND METHODS OF MAKING AND USING SAME NATIONAL SCIENCE FOUNDATION 2023-06-29 — — US disclosed
US-20230203077-A1 NOVEL PRECATALYST SCAFFOLDS FOR CROSS-COUPLING REACTIONS, AND METHODS OF MAKING AND USING SAME NATIONAL SCIENCE FOUNDATION 2023-06-29 — — US disclosed
US-11603381-B2 Precatalyst scaffolds for cross-coupling reactions, and methods of making and using same YALE UNIVERSITY (US) 2023-03-14 — — US disclosed
US-20210061834-A1 NOVEL PRECATALYST SCAFFOLDS FOR CROSS-COUPLING REACTIONS, AND METHODS OF MAKING AND USING SAME NATIONAL SCIENCE FOUNDATION 2021-03-04 — — US disclosed
US-20210061834-A1 NOVEL PRECATALYST SCAFFOLDS FOR CROSS-COUPLING REACTIONS, AND METHODS OF MAKING AND USING SAME NATIONAL SCIENCE FOUNDATION 2021-03-04 — — US disclosed
US-10894802-B2 Precatalyst scaffolds for cross-coupling reactions, and methods of making and using same YALE UNIVERSITY (US) 2021-01-19 — — US disclosed
US-10894802-B2 Precatalyst scaffolds for cross-coupling reactions, and methods of making and using same YALE UNIVERSITY (US) 2021-01-19 — — US disclosed
EP-3736279-A1 NOVEL PRECATALYST SCAFFOLDS FOR CROSS-COUPLING REACTIONS, AND METHODS OF MAKING AND USING SAME Yale University (US) 2020-11-11 — — EP disclosed
EP-3204395-B1 NOVEL PRECATALYST SCAFFOLDS FOR CROSS-COUPLING REACTIONS, AND METHODS OF MAKING AND USING SAME UNIV YALE (US) 2020-05-27 — — EP disclosed
EP-3204395-B1 NOVEL PRECATALYST SCAFFOLDS FOR CROSS-COUPLING REACTIONS, AND METHODS OF MAKING AND USING SAME UNIV YALE (US) 2020-05-27 — — EP disclosed
US-20170305948-A1 NOVEL PRECATALYST SCAFFOLDS FOR CROSS-COUPLING REACTIONS, AND METHODS OF MAKING AND USING SAME UNIV YALE (US) 2017-10-26 — — US disclosed
US-20170305948-A1 NOVEL PRECATALYST SCAFFOLDS FOR CROSS-COUPLING REACTIONS, AND METHODS OF MAKING AND USING SAME UNIV YALE (US) 2017-10-26 — — US disclosed
US-20170305948-A1 NOVEL PRECATALYST SCAFFOLDS FOR CROSS-COUPLING REACTIONS, AND METHODS OF MAKING AND USING SAME UNIV YALE (US) 2017-10-26 — — US disclosed
EP-3204395-A1 NOVEL PRECATALYST SCAFFOLDS FOR CROSS-COUPLING REACTIONS, AND METHODS OF MAKING AND USING SAME Yale University (US) 2017-08-16 — — EP disclosed
WO-2016057600-A1 NOVEL PRECATALYST SCAFFOLDS FOR CROSS-COUPLING REACTIONS, AND METHODS OF MAKING AND USING SAME YALE UNIVERSITY (US) 2016-04-14 — — 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 (7 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-20250002519-A1 NOVEL PRECATALYST SCAFFOLDS FOR CROSS-COUPLING REACTIONS, AND METHODS OF MAKING AND USING SAME TIMCC, YAP1, TET2 SMN1; SMN2 2929/4885NPC1 4247/4885RAB9A 2943/4885
US-11603381-B2 Precatalyst scaffolds for cross-coupling reactions, and methods of making and using same TIMCC, YAP1, TET2 SMN1; SMN2 3274/4885NPC1 3836/4885RAB9A 3083/4885
US-20210061834-A1 NOVEL PRECATALYST SCAFFOLDS FOR CROSS-COUPLING REACTIONS, AND METHODS OF MAKING AND USING SAME TIMCC, YAP1, TET2 SMN1; SMN2 2929/4885NPC1 4247/4885RAB9A 2943/4885
US-20230203077-A1 NOVEL PRECATALYST SCAFFOLDS FOR CROSS-COUPLING REACTIONS, AND METHODS OF MAKING AND USING SAME TIMCC, YAP1, TET2 SMN1; SMN2 2929/4885NPC1 4247/4885RAB9A 2943/4885
US-20170305948-A1 NOVEL PRECATALYST SCAFFOLDS FOR CROSS-COUPLING REACTIONS, AND METHODS OF MAKING AND USING SAME TIMCC, YAP1, TET2 SMN1; SMN2 2929/4885NPC1 4247/4885RAB9A 2943/4885
US-10894802-B2 Precatalyst scaffolds for cross-coupling reactions, and methods of making and using same TIMCC, YAP1, TET2 SMN1; SMN2 3274/4885NPC1 3836/4885RAB9A 3083/4885
US-12071445-B2 Precatalyst scaffolds for cross-coupling reactions, and methods of making and using same TIMCC, YAP1, TET2 SMN1; SMN2 3274/4885NPC1 3836/4885RAB9A 3083/4885

“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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