Sugi Predict

Sugi Predict / Compounds / SCHEMBL4163040

SCHEMBL4163040

SCHEMBL4163040

BrCc1ccc(C2CCCCC2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HAO1 Q9UJM8 1/20 0.42
▸ HTR2C P28335 1/20 0.42
▸ HTR2B P41595 1/20 0.42
▸ LMNA P02545 2/20 0.41
▸ HTT P42858 1/20 0.41
▸ MAPT P10636 3/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ GAA P10253 2/20 0.40
▸ KCNH2 Q12809 1/20 0.40
▸ HRH3 Q9Y5N1 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ HDAC1 Q13547 1/20 0.40
▸ HDAC8 Q9BY41 1/20 0.40
▸ HDAC6 Q9UBN7 1/20 0.40
▸ HSP90AA1 P07900 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ NOTUM Q6P988 1/20 0.40
▸ CARM1 Q86X55 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
SCHEMBL17112798 0.89 ESR2 (0.42) ALDH1A1
SCHEMBL7394128 0.83 TDP1 (0.41) HAO1HTR2CHTR2BLMNAHTT
SCHEMBL4452070 0.82 LTA4H (0.44) HAO1HTR2CHTR2BLMNAHTT
SCHEMBL28584923 0.81 HDAC8 (0.52) HAO1LMNAHTTMAPTGAA
SCHEMBL42782 0.81 HDAC8 (0.52) HAO1LMNAHTTMAPTGAA
SCHEMBL15260520 0.81 HDAC8 (0.52) HAO1LMNAHTTMAPTGAA
SCHEMBL6275125 0.81 HDAC8 (0.52) HAO1LMNAHTTMAPTGAA
SCHEMBL11282060 0.80 SPHK1 (0.45) HTR2CHTR2BKCNH2HRH3
SCHEMBL6025883 0.79 HRH3 (0.41) ALDH1A1KCNH2HRH3SMN1; SMN2
SCHEMBL15449220 0.79 ESR2 (0.57) ALDH1A1HRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119661535-A 7H-pyrrolo [3,2-f ] quinazoline derivatives and anti-infective application thereof 中国医学科学院药物研究所 2025-03-21 — — CN disclosed
WO-2023245847-A1 USE OF BORIC ACID SMALL MOLECULE COMPOUND IN PREPARATION OF DRUGS FOR ENHANCING CURATIVE EFFECT OF IMMUNE CHECKPOINT INHIBITOR AND TREATING LEUKEMIA 中山大学 2023-12-28 — — WO disclosed
CN-114751927-B Boric acid compound, preparation method and application 中山大学 2023-10-31 — — CN disclosed
WO-2023168851-A1 BORIC ACID COMPOUND, PREPARATION METHOD AND USE THEREOF 中山大学 2023-09-14 — — WO disclosed
WO-2023168851-A1 BORIC ACID COMPOUND, PREPARATION METHOD AND USE THEREOF 中山大学 2023-09-14 — — WO disclosed
CN-115317493-B Application of boric acid micromolecule compound in preparation of drugs for enhancing curative effect of immune checkpoint inhibitor and treating leukemia 中山大学 2023-04-28 — — CN disclosed
CN-115317493-A Application of boric acid small molecule compound in preparation of drugs for enhancing curative effect of immune checkpoint inhibitor and treating leukemia 中山大学 2022-11-11 — — CN disclosed
US-20220289720-A1 ARYL SULFONAMIDES AS SMALL MOLECULE STAT3 INHIBITORS UNIVERSITY OF HAWAII 2022-09-15 — — US disclosed
CN-114751927-A Boric acid compound, preparation method and application 中山大学 2022-07-15 — — CN disclosed
US-11299480-B2 2-arylsulfonamido-N-arylacetamide derivatized STAT3 inhibitors UNIVERSITY OF HAWAII (US) 2022-04-12 — — US disclosed
WO-2014070976-A1 INHIBITORS OF CYTOMEGALOVIRUS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-05-08 — — WO disclosed
WO-2014070859-A1 STAT3 DIMERIZATION INHIBITORS H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. (US) 2014-05-08 — — WO disclosed
US-20090105292-A9 Glucocorticoid Receptor Modulator Compounds and Methods LIGAND PHARMACEUTICALS INCORPORATED (US) 2009-04-23 — — US disclosed
US-20070281959-A1 Glucocorticoid receptor modulator compounds and methods LIGAND PHARMACEUTICALS INCORPORATED (US) 2007-12-06 — — US disclosed
CN-1950375-A Glucocorticoid receptor modulator compounds and methods- utility LIGAND PHARM INC (US) 2007-04-18 — — CN disclosed
EP-1718653-A1 GLUCOCORTICOID RECEPTOR MODULATOR COMPOUNDS AND METHODS- UTILITY Ligand Pharmaceuticals Inc. (US) 2006-11-08 — — EP disclosed
WO-2005082909-A1 GLUCOCORTICOID RECEPTOR MODULATOR COMPOUNDS AND METHODS- UTILITY LIGAND PHARMACEUTICALS INCORPORATED (US) 2005-09-09 — — WO disclosed
EP-0234045-B1 A PYRAZOLE OXIME DERIVATIVE AND ITS PRODUCTION AND USE NIHON NOHYAKU CO., LTD. (JP) 1992-09-02 — — EP disclosed
US-4843068-A INSECTICIDES, MITICIDES, FUNGICIDES NIHON NOHYAKU CO., LTD. (JP) 1989-06-27 — — US disclosed
EP-0234045-A2 A pyrazole oxime derivative and its production and use NIHON NOHYAKU CO., LTD. (JP) 1987-09-02 — — EP 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 (4 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-11299480-B2 2-arylsulfonamido-N-arylacetamide derivatized STAT3 inhibitors STAT3, JAK2, STAT5A HAO1 3874/4885HTR2C 1131/4885HTR2B 1775/4885
US-20220289720-A1 ARYL SULFONAMIDES AS SMALL MOLECULE STAT3 INHIBITORS STAT3, JAK2, STAT6 HAO1 4602/4885HTR2C 2448/4885HTR2B 3259/4885
US-20090105292-A9 Glucocorticoid Receptor Modulator Compounds and Methods NR3C1, NR3C2, MC2R HAO1 3206/4885HTR2C 510/4885HTR2B 542/4885
US-20070281959-A1 Glucocorticoid receptor modulator compounds and methods NR3C1, NR3C2, MC2R HAO1 3206/4885HTR2C 510/4885HTR2B 542/4885

“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.