Sugi Predict

Sugi Predict / Compounds / SCHEMBL9608966

SCHEMBL9608966

SCHEMBL9608966

O=C(O)[C@H]1NCc2ccccc21

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 2/20 0.67
▸ NPSR1 Q6W5P4 1/20 0.67
▸ SLC6A2 P23975 3/20 0.43
▸ SLC6A4 P31645 3/20 0.43
▸ SLC6A3 Q01959 2/20 0.43
▸ CYP2D6 P10635 3/20 0.41
▸ CYP3A4 P08684 2/20 0.41
▸ MAPT P10636 2/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ GAA P10253 1/20 0.41
▸ PRCP P42785 2/20 0.39
▸ TP53 P04637 2/20 0.39
▸ CYP1A2 P05177 2/20 0.39
▸ DRD1 P21728 2/20 0.39
▸ MAPK1 P28482 2/20 0.39
▸ HSD17B10 Q99714 2/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ HPGD P15428 1/20 0.39

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
SCHEMBL30230052 1.00 TSHR (0.67) TSHRNPSR1SLC6A2SLC6A4SLC6A3
SCHEMBL17231978 1.00 TSHR (0.67) TSHRNPSR1SLC6A2SLC6A4SLC6A3
SCHEMBL186825 1.00 TSHR (0.67) TSHRNPSR1SLC6A2SLC6A4SLC6A3
SCHEMBL21689895 1.00 TSHR (0.67) TSHRNPSR1SLC6A2SLC6A4SLC6A3
SCHEMBL30229974 1.00 TSHR (0.67) TSHRNPSR1SLC6A2SLC6A4SLC6A3
Hydrochloric Acid SCHEMBL16992064 0.98 TSHR (0.70) TSHRNPSR1SLC6A2SLC6A4SLC6A3
Hydrochloric Acid SCHEMBL29897763 0.98 TSHR (0.70) TSHRNPSR1SLC6A2SLC6A4SLC6A3
Hydrochloric Acid SCHEMBL19583552 0.98 TSHR (0.70) TSHRNPSR1SLC6A2SLC6A4SLC6A3
Trifluoroacetic Acid SCHEMBL19584295 0.90 TSHR (0.56) TSHRNPSR1SLC6A2SLC6A4SLC6A3
SCHEMBL27632988 0.86 TSHR (0.50) TSHRNPSR1SLC6A2SLC6A4SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3387004-B1 CYCLIC PEPTIDES TARGETING ALPHA4 BETA7 INTEGRIN ZEALAND PHARMA AS (DK) 2021-10-06 — — EP claimed
EP-3647319-B1 PEPTIDE COMPOUND, APPLICATION THEREOF AND COMPOSITION CONTAINING SAME XDCEXPLORER SHANGHAI CO LTD (CN) 2025-04-09 — — EP disclosed
WO-2024191988-A1 3,4-FUSED BICYCLIC PYRROLIDINE AND 3,4-FUSED BICYCLIC PYRROLIDINONE COMPOUNDS CYTEIR THERAPEUTICS, INC. (US) 2024-09-19 — — WO disclosed
WO-2023241322-A1 HETEROCYCLIC DERIVATIVES, COMPOSITIONS AND USES THEREOF DANATLAS PHARMACEUTICALS CO., LTD. (CN) 2023-12-21 — — WO disclosed
WO-2023165943-A1 3-ALKYNYL CARBOXAMIDES AS AEP MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2023-09-07 — — WO disclosed
CN-111718290-B Synthesis method of multi-configuration isoindoline-1-carboxylic acid amino acid compound 苏州爱玛特生物科技有限公司 2022-11-25 — — CN disclosed
US-11365177-B2 Chemical uncouplers of respiration and methods of use thereof DANA-FARBER CANCER INSTITUTE, INC. (US) 2022-06-21 — — US disclosed
EP-3916003-A1 N-METHYL-D-ASPARTATE RECEPTOR MODULATORS AND METHODS OF MAKING AND USING SAME Naurex, Inc. (US) 2021-12-01 — — EP disclosed
US-20200317613-A1 CHEMICAL UNCOUPLERS OF RESPIRATION AND METHODS OF USE THEREOF UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED 2020-10-08 — — US disclosed
CN-111718290-A Synthesis method of multi-configuration isoindoline-1-carboxylic acid amino acid compound 苏州爱玛特生物科技有限公司 2020-09-29 — — CN disclosed
EP-3455221-A1 DIMERIC COMPOUNDS H. Hoffnabb-La Roche Ag (CH) 2019-03-20 — — EP disclosed
WO-2017194390-A1 DIMERIC COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2017-11-16 — — WO disclosed
US-9422332-B2 Azaheterocycles as BIR2 and/or BIR3 inhibitors HOFFMANN-LA ROCHE INC. (US) 2016-08-23 — — US disclosed
US-20150210739-A1 AZAHETEROCYCLES AS BIR2 AND/OR BIR3 INHIBITORS HOFFMANN-LA ROCHE INC. 2015-07-30 — — US disclosed
EP-2885275-A1 AZAHETEROCYCLES AS BIR2 AND/OR BIR3 INHIBITORS F. Hoffmann-La Roche AG (CH) 2015-06-24 — — EP disclosed
CN-104540806-A Azaheterocycles as BIR2 and/or BIR3 inhibitors HOFFMANN LA ROCHE 2015-04-22 — — CN disclosed
WO-2014026882-A1 AZAHETEROCYCLES AS BIR2 AND/OR BIR3 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2014-02-20 — — WO disclosed
EP-2457896-A1 Tripeptides as caspase modulators Idun Pharmaceuticals, Inc. (US) 2012-05-30 — — EP disclosed
US-4720484-A Peptide compounds having a nitrogenous polycyclic structure ADIR S.A.R.L. (FR) 1988-01-19 — — 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 (3 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-11365177-B2 Chemical uncouplers of respiration and methods of use thereof PC, UQCRC1, SQOR TSHR 1390/4885NPSR1 1656/4885SLC6A2 3620/4885
US-20150210739-A1 AZAHETEROCYCLES AS BIR2 AND/OR BIR3 INHIBITORS BIRC3, BIRC5, BIRC2 TSHR 4347/4885NPSR1 4475/4885SLC6A2 3819/4885
US-20200317613-A1 CHEMICAL UNCOUPLERS OF RESPIRATION AND METHODS OF USE THEREOF PC, UQCRC1, SQOR TSHR 1390/4885NPSR1 1656/4885SLC6A2 3620/4885

“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.