Sugi Predict

Sugi Predict / Compounds / SCHEMBL2553362

SCHEMBL2553362

SCHEMBL2553362

CCOC(=O)C(C)C(=O)CBr

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.50
▸ TRPA1 O75762 2/20 0.50
▸ HPGD P15428 1/20 0.40
▸ LMNA P02545 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ ALOX15 P16050 1/20 0.37
▸ MGAM O43451 1/20 0.37
▸ GAA P10253 1/20 0.37
▸ SI P14410 1/20 0.37
▸ MGAM2 Q2M2H8 1/20 0.37
▸ SOAT1 P35610 1/20 0.37
▸ CPB2 Q96IY4 1/20 0.34
▸ PIN1 Q13526 1/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ NPC1 O15118 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ CAD P27708 1/20 0.32
▸ MMP8 P22894 1/20 0.32

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
Bromobenzene SCHEMBL11187850 0.83 MMP8 (0.44) ALDH1A1LMNAGAAPIN1MEN1
SCHEMBL1148993 0.81 SOAT1 (0.46) ALDH1A1TRPA1HPGDLMNAHSD17B10
SCHEMBL141446 0.80 ALDH1A1 (0.53) ALDH1A1TRPA1HPGDLMNAHSD17B10
SCHEMBL15437483 0.78 ALDH1A1 (0.46) ALDH1A1TRPA1HPGDLMNAHSD17B10
Ammonia Solution, Strong SCHEMBL28791130 0.78 ALDH1A1 (0.50) ALDH1A1TRPA1HPGDLMNAHSD17B10
Ethane SCHEMBL9181718 0.78 ALDH1A1 (0.50) ALDH1A1TRPA1HPGDLMNAHSD17B10
SCHEMBL8800602 0.78 ALDH1A1 (0.50) ALDH1A1TRPA1HPGDLMNAHSD17B10
SCHEMBL28186389 0.78 ALDH1A1 (0.50) ALDH1A1TRPA1HPGDLMNAHSD17B10
SCHEMBL6297049 0.77 ALDH1A1 (0.50) ALDH1A1TRPA1LMNAHSD17B10ALOX15
SCHEMBL2823198 0.77 ALDH1A1 (0.40) ALDH1A1TRPA1HPGDLMNAHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4688772-A1 BIARYL DERIVATIVES AND RELATED USES Moma Therapeutics, Inc. (US) 2026-02-11 — — EP disclosed
US-20260015360-A1 BIARYL DERIVATIVES AND RELATED USES MOMA THERAPEUTICS, INC. 2026-01-15 — — US disclosed
WO-2024211834-A1 BIARYL DERIVATIVES AND RELATED USES MOMA THERAPEUTICS, INC. (US) 2024-10-10 — — WO disclosed
CN-115536626-B Total synthesis method of racemized fraxinellone 中国药科大学 2023-09-22 — — CN disclosed
US-20230174562-A1 RADIO-AND CHEMO-PROTECTIVE COMPOUNDS Tonix Pharmaceuticals, Inc. 2023-06-08 — — US disclosed
US-20230174562-A1 RADIO-AND CHEMO-PROTECTIVE COMPOUNDS Tonix Pharmaceuticals, Inc. 2023-06-08 — — US disclosed
US-20230143612-A1 SUBSTITUTED 1,1'-BIPHENYL COMPOUNDS AND METHODS USING SAME ARBUTUS BIOPHARMA CORP (US) 2023-05-11 — — US disclosed
US-20230143612-A1 SUBSTITUTED 1,1'-BIPHENYL COMPOUNDS AND METHODS USING SAME ARBUTUS BIOPHARMA CORP (US) 2023-05-11 — — US disclosed
US-20230143612-A1 SUBSTITUTED 1,1'-BIPHENYL COMPOUNDS AND METHODS USING SAME ARBUTUS BIOPHARMA CORP (US) 2023-05-11 — — US disclosed
US-20230138150-A1 RADIO-PROTECTIVE AND CHEMO-PROTECTIVE SUBSTITUTED THIOLS Tonix Pharmaceuticals, Inc. 2023-05-04 — — US disclosed
WO-2014018764-A1 SPIRO - FUSED PIPERIDINE DERIVATIVES FOR USE AS INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL MERCK SHARP & DOHME CORP. (US) 2014-01-30 — — WO disclosed
WO-2014015495-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL MERCK SHARP & DOHME CORP. (US) 2014-01-30 — — WO disclosed
US-20140031349-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL MERCK SHARP & DOHME CORP. (US) 2014-01-30 — — US disclosed
US-20130116247-A1 IRE-1alpha INHIBITORS MANNKIND CORPORATION (US) 2013-05-09 — — US disclosed
US-20130116247-A1 IRE-1alpha INHIBITORS MANNKIND CORPORATION (US) 2013-05-09 — — US disclosed
US-20130116247-A1 IRE-1alpha INHIBITORS MANNKIND CORPORATION (US) 2013-05-09 — — US disclosed
EP-2555768-A2 IRE-1 INHIBITORS MannKind Corporation (US) 2013-02-13 — — EP disclosed
WO-2011127070-A2 IRE-1α INHIBITORS MANNKIND CORPORATION (US) 2011-10-13 — — WO disclosed
US-4077968-A ANTIINFLAMMATORY, ANTIRHEUMATIC, ANALGESIC, ANTILIPEMIC SHIONOGI & CO., LTD. (JA) 1978-03-07 — — US disclosed
US-4025528-A ANTIINFLAMMATORY, ANALGESIC, ANTILIPEMIC SHIONOGI & CO., LTD. (JA) 1977-05-24 — — 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-20230174562-A1 RADIO-AND CHEMO-PROTECTIVE COMPOUNDS MGMT, RCOR3, TSPO ALDH1A1 926/4885TRPA1 1582/4885HPGD 468/4885
US-20260015360-A1 BIARYL DERIVATIVES AND RELATED USES POLB, POLA1, POLN ALDH1A1 824/4885TRPA1 4742/4885HPGD 3744/4885
US-20130116247-A1 IRE-1alpha INHIBITORS ERN1, XBP1, ERN2 ALDH1A1 2036/4885TRPA1 3762/4885HPGD 706/4885
US-20230138150-A1 RADIO-PROTECTIVE AND CHEMO-PROTECTIVE SUBSTITUTED THIOLS MGMT, GSTA1, GSTP1 ALDH1A1 93/4885TRPA1 1647/4885HPGD 272/4885
US-20230143612-A1 SUBSTITUTED 1,1'-BIPHENYL COMPOUNDS AND METHODS USING SAME HAVCR2, HMBS, VHL ALDH1A1 172/4885TRPA1 3761/4885HPGD 1172/4885
US-20140031349-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL KCNJ11, KCNJ1, KCNJ2 ALDH1A1 1750/4885TRPA1 370/4885HPGD 1455/4885

“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.