Sugi Predict

Sugi Predict / Compounds / SCHEMBL16634622

SCHEMBL16634622

SCHEMBL16634622

O=C(O)N1CCc2cc(CO)ccc2C1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ NAMPT P43490 8/20 0.49
▸ ESR2 Q92731 4/20 0.44
▸ ESR1 P03372 3/20 0.44
▸ NPC1 O15118 2/20 0.43
▸ TMPRSS2 O15393 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ KMT2A Q03164 1/20 0.42
▸ TMEM97 Q5BJF2 1/20 0.42
▸ SIGMAR1 Q99720 1/20 0.42
▸ NOTUM Q6P988 1/20 0.41
▸ PDE4B Q07343 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ CYP2D6 P10635 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ CYP2C19 P33261 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
SCHEMBL27914873 0.94 NAMPT (0.49) NAMPTESR2ESR1NPC1RAB9A
SCHEMBL18584721 0.90 NAMPT (0.42) NAMPTESR2ESR1NPC1RAB9A
SCHEMBL4621629 0.87 NAMPT (0.57) NAMPT
SCHEMBL19717635 0.86 NPC1 (0.45) ESR2ESR1NPC1TMPRSS2RAB9A
SCHEMBL1772601 0.82 ESR2 (0.41) ESR2ESR1NPC1TMPRSS2RAB9A
SCHEMBL19642893 0.81 TMPRSS2 (0.44) ESR2ESR1NPC1TMPRSS2RAB9A
SCHEMBL22981196 0.80 ESR1 (0.43) NAMPTESR2ESR1NPC1RAB9A
SCHEMBL4010938 0.80 ESR1 (0.43) ESR2ESR1NPC1RAB9AKMT2A
SCHEMBL20738499 0.79 NOTUM (0.50) NOTUM
SCHEMBL2177564 0.79 ABHD6 (0.50) NAMPTESR2ESR1KMT2ATMEM97

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
EP-4320101-A2 SYNTHESIS OF RAPAMYCIN ANALOG COMPOUNDS Revolution Medicines, Inc. (US) 2024-02-14 — — EP disclosed
US-20230250080-A1 ENZYME INHIBITORS KALVISTA PHARMACEUTICALS LTD (GB) 2023-08-10 — — US disclosed
EP-4168002-A1 METHODS FOR DELAYING, PREVENTING, AND TREATING ACQUIRED RESISTANCE TO RAS INHIBITORS Revolution Medicines, Inc. (US) 2023-04-26 — — EP disclosed
US-11613527-B2 Enzyme inhibitors KALVISTA PHARMACEUTICALS LIMITED (GB) 2023-03-28 — — US disclosed
CN-115551595-A Combination therapy of a CD73 inhibitor and an A2A/A2B adenosine receptor inhibitor 因赛特公司 2022-12-30 — — CN disclosed
CN-115279766-A Combination therapy comprising A2A/A2B and PD-1/PD-L1 inhibitors 因赛特公司 2022-11-01 — — CN disclosed
WO-2022216900-A2 SYNTHESIS OF RAPAMYCIN ANALOG COMPOUNDS Revolution Medicines, Inc. (US) 2022-10-13 — — WO disclosed
EP-4010333-A1 PLASMA KALLIKREIN INHIBITORS Kalvista Pharmaceuticals Limited (GB) 2022-06-15 — — EP disclosed
CN-109563043-B Substituted pyridines as inhibitors of DNMT1 葛兰素史密斯克莱知识产权发展有限公司 2022-05-31 — — CN disclosed
CN-114206852-A Plasma kallikrein inhibitors 卡尔维斯塔制药有限公司 2022-03-18 — — CN disclosed
WO-2021028649-A1 PLASMA KALLIKREIN INHIBITORS KALVISTA PHARMACEUTICALS LIMITED (GB) 2021-02-18 — — WO disclosed
WO-2021028645-A1 PLASMA KALLIKREIN INHIBITORS KALVISTA PHARMACEUTICALS LIMITED (GB) 2021-02-18 — — WO disclosed
US-10829460-B2 [6,6] fused bicyclic HDAC8 inhibitors VALO EARLY DISCOVERY, INC. (US) 2020-11-10 — — US disclosed
US-20200291015-A1 TRIAZOLOPYRIDINE INHIBITORS OF MYELOPEROXIDASE BRISTOL MYERS SQUIBB CO (US) 2020-09-17 — — US disclosed
US-20190308946-A1 [6,6] FUSED BICYCLIC HDAC8 INHIBITORS VALO HEALTH, INC. 2019-10-10 — — US disclosed
US-20190194166-A1 SUBSTITUTED PYRIDINES AS INHIBITORS OF DNMT1 GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2019-06-27 — — US disclosed
WO-2017216726-A1 SUBSTITUTED PYRIDINES AS INHIBITORS OF DNMT1 GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2017-12-21 — — WO disclosed
WO-2017160632-A1 TRIAZOLOPYRIDINE INHIBITORS OF MYELOPEROXIDASE BRISTOL-MYERS SQUIBB COMPANY (US) 2017-09-21 — — WO disclosed
EP-3055304-A1 NOVEL PYRIDYLOXYACETYL TETRAHYDROISOQUINOLINE COMPOUNDS USEFUL AS NAMPT INHIBITORS Eli Lilly and Company (US) 2016-08-17 — — EP disclosed
WO-2015054060-A1 NOVEL PYRIDYLOXYACETYL TETRAHYDROISOQUINOLINE COMPOUNDS USEFUL AS NAMPT INHIBITORS ELI LILLY AND COMPANY (US) 2015-04-16 — — 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 (6 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-20230250080-A1 ENZYME INHIBITORS SERPINB1, KLKB1, SERPINE1 NAMPT 2035/4885ESR2 2034/4885ESR1 2533/4885
US-11613527-B2 Enzyme inhibitors SERPINB1, KLKB1, SERPINE1 NAMPT 2035/4885ESR2 2034/4885ESR1 2533/4885
US-20200291015-A1 TRIAZOLOPYRIDINE INHIBITORS OF MYELOPEROXIDASE MPO, NOX5, SERPINB1 NAMPT 2286/4885ESR2 3319/4885ESR1 4049/4885
US-20190194166-A1 SUBSTITUTED PYRIDINES AS INHIBITORS OF DNMT1 DNMT1, DNMT3A, DNMT3B NAMPT 2469/4885ESR2 3205/4885ESR1 1166/4885
US-20190308946-A1 [6,6] FUSED BICYCLIC HDAC8 INHIBITORS HDAC8, HDAC3, HDAC2 NAMPT 2460/4885ESR2 2593/4885ESR1 2318/4885
US-10829460-B2 [6,6] fused bicyclic HDAC8 inhibitors HDAC8, HDAC1, HDAC2 NAMPT 3607/4885ESR2 2386/4885ESR1 3253/4885

“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.