Sugi Predict

Sugi Predict / Compounds / SCHEMBL16633105

SCHEMBL16633105

SCHEMBL16633105

NC[C@@H](O)COCc1ccccc1

nearest known ligand 0.73

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 5/20 0.73
▸ CA2 P00918 3/20 0.73
▸ CA7 P43166 3/20 0.73
▸ CA9 Q16790 3/20 0.73
▸ TSHR P16473 2/20 0.55
▸ MAPK1 P28482 1/20 0.54
▸ TACR1 P25103 2/20 0.51
▸ CA4 P22748 1/20 0.50
▸ POLB P06746 1/20 0.49
▸ PRMT5 O14744 1/20 0.49
▸ WDR77 Q9BQA1 1/20 0.49
▸ CYP1A2 P05177 1/20 0.49
▸ CYP3A4 P08684 1/20 0.49
▸ CYP2D6 P10635 1/20 0.49
▸ CYP2C9 P11712 1/20 0.49
▸ CYP2C19 P33261 1/20 0.49
▸ AGER Q15109 1/20 0.49
▸ SLC1A1 P43005 1/20 0.49

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
SCHEMBL2597853 1.00 CA1 (0.73) CA1CA2CA7CA9TSHR
SCHEMBL16633833 1.00 CA1 (0.73) CA1CA2CA7CA9TSHR
SCHEMBL397022 0.88 CA1 (0.78) CA1CA2CA7CA9TSHR
SCHEMBL22238894 0.85 CA1 (0.64) CA1CA2CA7CA9TSHR
SCHEMBL8192726 0.85 CA1 (0.64) CA1CA2CA7CA9TSHR
SCHEMBL7153591 0.84 CA1 (0.76) CA1CA2CA7CA9TSHR
SCHEMBL27325018 0.83 CA1 (0.66) CA1CA2CA7CA9TSHR
SCHEMBL23258692 0.82 CA1 (0.70) CA1CA2CA7CA9TSHR
SCHEMBL122306 0.82 CA1 (0.70) CA1CA2CA7CA9TSHR
SCHEMBL218661 0.82 CA1 (0.70) CA1CA2CA7CA9TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4519265-A1 IRREVERSIBLE MUTEGFR INHIBITORS Bayer Aktiengesellschaft (DE) 2025-03-12 — — EP disclosed
US-20250059157-A1 TLR7/8 ANTAGONISTS AND USES THEREOF MERCK PATENT GMBH (DE) 2025-02-20 — — US disclosed
WO-2024259171-A9 KEAP1 INHIBITORS AND USES THEREOF VIVIDION THERAPEUTICS, INC. (US) 2025-01-23 — — WO disclosed
US-20250011291-A1 KEAP1 INHIBITORS AND USES THEREOF VIVIDION THERAPEUTICS, INC. 2025-01-09 — — US disclosed
WO-2024259171-A2 KEAP1 INHIBITORS AND USES THEREOF VIVIDION THERAPEUTICS, INC. (US) 2024-12-19 — — WO disclosed
WO-2023213882-A1 IRREVERSIBLE MUTEGFR INHIBITORS BAYER AKTIENGESELLSCHAFT (DE) 2023-11-09 — — WO disclosed
US-20230303514-A1 TLR7/8 ANTAGONISTS AND USES THEREOF MERCK PATENT GMBH (DE) 2023-09-28 — — US disclosed
US-20230303514-A1 TLR7/8 ANTAGONISTS AND USES THEREOF MERCK PATENT GMBH (DE) 2023-09-28 — — US disclosed
US-11629134-B2 TLR7/8 antagonists and uses thereof MERCK PATENT GMBH (DE) 2023-04-18 — — US disclosed
CN-110105346-B Optionally substituted quinoline compounds 卫材R&D管理有限公司 2023-03-10 — — CN disclosed
WO-2017106607-A1 POLYCYCLIC TLR7/8 ANTAGONISTS AND USE THEREOF IN THE TREATMENT OF IMMUNE DISORDERS MERCK PATENT GMBH (DE) 2017-06-22 — — WO disclosed
WO-2017106607-A1 POLYCYCLIC TLR7/8 ANTAGONISTS AND USE THEREOF IN THE TREATMENT OF IMMUNE DISORDERS MERCK PATENT GMBH (DE) 2017-06-22 — — WO disclosed
US-20170174653-A1 TLR7/8 ANTAGONISTS AND USES THEREOF MERCK PATENT GMBH (DE) 2017-06-22 — — US disclosed
WO-2017076285-A1 PREPARATION METHOD FOR TEDIZOLID, TEDIZOLID INTERMEDIATE, AND PREPARATION METHOD THEREFOR 浙江华海药业股份有限公司 2017-05-11 — — WO disclosed
US-20160326161-A1 SELECTIVELY SUBSTITUTED QUINOLINE COMPOUNDS EISAI R&D MANAGEMENT CO., LTD. (JP) 2016-11-10 — — US disclosed
US-20160326161-A1 SELECTIVELY SUBSTITUTED QUINOLINE COMPOUNDS EISAI R&D MANAGEMENT CO., LTD. (JP) 2016-11-10 — — US disclosed
US-9428495-B2 Selectively substituted quinoline compounds EISAI R&D MANAGEMENT CO., LTD. (JP) 2016-08-30 — — US disclosed
US-9428495-B2 Selectively substituted quinoline compounds EISAI R&D MANAGEMENT CO., LTD. (JP) 2016-08-30 — — US disclosed
US-20150105370-A1 SELECTIVELY SUBSTITUTED QUINOLINE COMPOUNDS EISAI R&D MANAGEMENT CO., LTD. (JP) 2015-04-16 — — US disclosed
US-20150105370-A1 SELECTIVELY SUBSTITUTED QUINOLINE COMPOUNDS EISAI R&D MANAGEMENT CO., LTD. (JP) 2015-04-16 — — 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 (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-20230303514-A1 TLR7/8 ANTAGONISTS AND USES THEREOF TLR7, TLR8, TLR9 CA1 4833/4885CA2 4689/4885CA7 4315/4885
US-11629134-B2 TLR7/8 antagonists and uses thereof TLR7, TLR8, TLR9 CA1 4833/4885CA2 4689/4885CA7 4315/4885
US-20250011291-A1 KEAP1 INHIBITORS AND USES THEREOF KEAP1, NFE2L2, NQO1 CA1 4860/4885CA2 4545/4885CA7 4724/4885
US-20160326161-A1 SELECTIVELY SUBSTITUTED QUINOLINE COMPOUNDS SSB, TLR7, TLR8 CA1 4645/4885CA2 3834/4885CA7 2963/4885
US-20150105370-A1 SELECTIVELY SUBSTITUTED QUINOLINE COMPOUNDS SSB, TLR7, TLR8 CA1 4645/4885CA2 3834/4885CA7 2963/4885
US-20250059157-A1 TLR7/8 ANTAGONISTS AND USES THEREOF TLR7, TLR8, TLR9 CA1 4833/4885CA2 4689/4885CA7 4315/4885
US-20170174653-A1 TLR7/8 ANTAGONISTS AND USES THEREOF TLR7, TLR8, TLR9 CA1 4839/4885CA2 4498/4885CA7 3839/4885

“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.