Sugi Predict

Sugi Predict / Compounds / SCHEMBL6924987

SCHEMBL6924987

SCHEMBL6924987

CC(C)(C)OC(=O)NCc1ccccc1CN

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KCNA5 P22460 1/20 0.51
▸ KDM4A O75164 1/20 0.50
▸ NAMPT P43490 2/20 0.44
▸ HDAC10 Q969S8 1/20 0.44
▸ HDAC6 Q9UBN7 1/20 0.44
▸ CA12 O43570 1/20 0.43
▸ CA1 P00915 1/20 0.43
▸ CA7 P43166 1/20 0.43
▸ CA14 Q9ULX7 1/20 0.43
▸ NQO2 P16083 1/20 0.43
▸ MALT1 Q9UDY8 1/20 0.42
▸ IDO1 P14902 1/20 0.42
▸ LMNA P02545 1/20 0.42
▸ POLB P06746 1/20 0.42
▸ HDAC1 Q13547 2/20 0.41
▸ MEN1 O00255 1/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ GAA P10253 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ KMT2A Q03164 1/20 0.40

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
Sulfuric Acid SCHEMBL7515456 0.94 KCNA5 (0.47) KCNA5KDM4ANAMPTHDAC10HDAC6
SCHEMBL8018113 0.92 KCNA5 (0.56) KCNA5KDM4ANAMPTHDAC10HDAC6
SCHEMBL30159605 0.92 KCNA5 (0.56) KCNA5KDM4ANAMPTHDAC10HDAC6
SCHEMBL6874894 0.86 KCNA5 (0.52) KCNA5KDM4ANAMPTHDAC10HDAC6
SCHEMBL30454240 0.86 KCNA5 (0.52) KCNA5KDM4ANAMPTHDAC10HDAC6
SCHEMBL11520059 0.85 KCNA5 (0.52) KCNA5KDM4ANAMPTHDAC10HDAC6
SCHEMBL6925241 0.85 NQO2 (0.56) KCNA5NAMPTCA12CA1NQO2
SCHEMBL7654695 0.84 KCNA5 (0.54) KCNA5KDM4ANAMPTHDAC10HDAC6
SCHEMBL2061998 0.84 KCNA5 (0.54) KCNA5KDM4ANAMPTHDAC10HDAC6
SCHEMBL825511 0.83 KCNA5 (0.53) KCNA5KDM4ANAMPTHDAC10HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110891951-B Compounds of formula (I) 谢菲尔德大学 2024-08-20 — — CN disclosed
EP-3628045-B1 COMPOUNDS UNIV SHEFFIELD (GB) 2024-07-03 — — EP disclosed
WO-2024010810-A2 FC CONJUGATES INCLUDING AN INHIBITOR OF CD73 AND USES THEREOF CIDARA THERAPEUTICS, INC. (US) 2024-01-11 — — WO disclosed
EP-3541373-B1 DIAMINO-ALKYLAMINO-LINKED ARYLSULFONAMIDE COMPOUNDS WITH SELECTIVE ACTIVITY IN VOLTAGE-GATED SODIUM CHANNELS MERCK SHARP & DOHME LLC (US) 2023-11-01 — — EP disclosed
EP-3541373-B1 DIAMINO-ALKYLAMINO-LINKED ARYLSULFONAMIDE COMPOUNDS WITH SELECTIVE ACTIVITY IN VOLTAGE-GATED SODIUM CHANNELS MERCK SHARP & DOHME LLC (US) 2023-11-01 — — EP disclosed
US-20230036854-A1 HETEROCYCLIC SPIRO-COMPOUNDS AS AM2 RECEPTOR INHIBITORS THE UNIVERSITY OF SHEFFIELD (GB) 2023-02-02 — — US disclosed
US-11400081-B2 Compounds THE UNIVERSITY OF SHEFFIELD (GB) 2022-08-02 — — US disclosed
US-20210113534-A1 COMPOUNDS THE UNIVERSITY OF SHEFFIELD (GB) 2021-04-22 — — US disclosed
US-10968210-B2 Diamino-alkylamino-linked arylsulfonamide compounds with selective activity in voltage-gated sodium channels MERCK SHARP & DOHME CORP. (US) 2021-04-06 — — US disclosed
US-10968210-B2 Diamino-alkylamino-linked arylsulfonamide compounds with selective activity in voltage-gated sodium channels MERCK SHARP & DOHME CORP. (US) 2021-04-06 — — US disclosed
US-6515011-B2 Anticoagulants MERCK & CO., INC. 2003-02-04 — — US disclosed
US-20020193398-A1 Thrombin inhibitors MERCK & CO., INC. 2002-12-19 — — US disclosed
US-20020119992-A1 Thrombin inhibitors MERCK & CO., INC. 2002-08-29 — — US disclosed
WO-2002064211-A1 THROMBIN INHIBITORS MERCK & CO., INC. (US) 2002-08-22 — — WO disclosed
WO-2002057225-A2 THROMBIN INHIBITORS MERCK & CO., INC. (US) 2002-07-25 — — WO disclosed
WO-2002050056-A1 BENZYLAMINE DERIVATIVES AND THEIR USE AS THROMBIN INHIBITORS MERCK & CO., INC. (US) 2002-06-27 — — WO disclosed
EP-0763016-A1 COMPOSITIONS AND METHODS FOR TREATING MAST-CELL MEDIATED CONDITIONS ARRIS PHARMACEUTICAL CORPORATION (US) 1997-03-19 — — EP disclosed
WO-1995032945-A1 COMPOSITIONS AND METHODS FOR TREATING MAST-CELL MEDIATED CONDITIONS ARRIS PHARMACEUTICAL CORPORATION (US) 1995-12-07 — — WO disclosed
US-4863905-A PEPTIDES WARNER-LAMBERT COMPANY (US) 1989-09-05 — — US disclosed
US-4743585-A PEPTIDES, HYPOTENSIVE AGENTS, HYPERALDOSTERONISM WARNER-LAMBERT COMPANY (US) 1988-05-10 — — 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 (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-10968210-B2 Diamino-alkylamino-linked arylsulfonamide compounds with selective activity in voltage-gated sodium channels TRPV1, SCN1A, SCN7A KCNA5 31/4885KDM4A 2660/4885NAMPT 2693/4885
US-20020119992-A1 Thrombin inhibitors SERPINC1, F2, TFPI KCNA5 3466/4885KDM4A 4206/4885NAMPT 2002/4885
US-20210113534-A1 COMPOUNDS MRGPRX2, MC2R, ADM2 KCNA5 2659/4885KDM4A 4861/4885NAMPT 3357/4885
US-20020193398-A1 Thrombin inhibitors F2, F3, TFPI KCNA5 2592/4885KDM4A 3408/4885NAMPT 1710/4885
US-20230036854-A1 HETEROCYCLIC SPIRO-COMPOUNDS AS AM2 RECEPTOR INHIBITORS MC2R, AGTR2, NR3C2 KCNA5 1436/4885KDM4A 4792/4885NAMPT 2931/4885
US-11400081-B2 Compounds MRGPRX2, MC2R, ADM2 KCNA5 2659/4885KDM4A 4861/4885NAMPT 3357/4885

“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.