Sugi Predict

Sugi Predict / Compounds / SCHEMBL3901339

SCHEMBL3901339

SCHEMBL3901339

CCCOc1cc(C(=O)OC)ccc1Br

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.48
▸ SMN1; SMN2 Q16637 2/20 0.48
▸ RAB9A P51151 1/20 0.48
▸ L3MBTL1 Q9Y468 1/20 0.48
▸ ALDH1A1 P00352 1/20 0.48
▸ KDM4E B2RXH2 1/20 0.48
▸ POLB P06746 1/20 0.48
▸ NOTUM Q6P988 1/20 0.47
▸ SMPD1 P17405 4/20 0.46
▸ HPGD P15428 1/20 0.45
▸ HSD17B10 Q99714 1/20 0.45
▸ MEN1 O00255 1/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ PDE4D Q08499 1/20 0.44
▸ CA12 O43570 1/20 0.44
▸ CA1 P00915 1/20 0.44
▸ CA2 P00918 1/20 0.44
▸ CA7 P43166 1/20 0.44
▸ XDH P47989 1/20 0.44
▸ CA9 Q16790 1/20 0.44

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
SCHEMBL14930286 0.93 ESR1 (0.52) MAPTRAB9AL3MBTL1ALDH1A1KDM4E
SCHEMBL6294921 0.88 THRA (0.51) MAPTSMN1; SMN2RAB9AL3MBTL1ALDH1A1
SCHEMBL15994552 0.88 NOTUM (0.47) MAPTRAB9AL3MBTL1ALDH1A1KDM4E
SCHEMBL4913133 0.88 NOTUM (0.47) MAPTSMN1; SMN2RAB9AL3MBTL1ALDH1A1
SCHEMBL1344274 0.88 MAPT (0.50) MAPTRAB9AL3MBTL1ALDH1A1KDM4E
SCHEMBL733132 0.88 TSHR (0.50) MAPTL3MBTL1ALDH1A1NOTUMHSD17B10
SCHEMBL2934404 0.87 KDM4E (0.46) MAPTRAB9AL3MBTL1ALDH1A1KDM4E
SCHEMBL2802839 0.87 CYP4A11 (0.49) MAPTSMN1; SMN2RAB9AL3MBTL1ALDH1A1
SCHEMBL25856848 0.87 NOTUM (0.49) MAPTSMN1; SMN2RAB9AL3MBTL1ALDH1A1
SCHEMBL12068781 0.87 NOTUM (0.49) MAPTRAB9AL3MBTL1ALDH1A1KDM4E

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
WO-2024101440-A1 COMPOUND, ENDOTHELIN A RECEPTOR ANTAGONIST, ANGIOTENSIN II TYPE 1 RECEPTOR ANTAGONIST, AND PHARMACEUTICAL COMPOSITION 株式会社アークメディスン 2024-05-16 — — WO disclosed
US-20240067610-A1 INHIBITORS OF NLRP3 INFLAMMASOME BioAge Labs, Inc. 2024-02-29 — — US disclosed
US-20240067610-A1 INHIBITORS OF NLRP3 INFLAMMASOME BioAge Labs, Inc. 2024-02-29 — — US disclosed
WO-2023224963-A1 DUAL-ACTING ANGIOTENSIN AND ENDOTHELIN RECEPTOR ANTAGONISTS ARIA PHARMACEUTICALS, INC. (US) 2023-11-23 — — WO disclosed
WO-2023224963-A1 DUAL-ACTING ANGIOTENSIN AND ENDOTHELIN RECEPTOR ANTAGONISTS ARIA PHARMACEUTICALS, INC. (US) 2023-11-23 — — WO disclosed
US-20230365507-A1 INHIBITORS OF NLRP3 INFLAMMASOME BioAge Labs, Inc. 2023-11-16 — — US disclosed
US-11708334-B2 Inhibitors of NLRP3 inflammasome BioAge Labs, Inc. (US) 2023-07-25 — — US disclosed
US-11708334-B2 Inhibitors of NLRP3 inflammasome BioAge Labs, Inc. (US) 2023-07-25 — — US disclosed
US-11702391-B2 Inhibitors of NLRP3 inflammasome BioAge Labs, Inc. (US) 2023-07-18 — — US disclosed
US-11702391-B2 Inhibitors of NLRP3 inflammasome BioAge Labs, Inc. (US) 2023-07-18 — — US disclosed
US-20130303786-A1 BENZYLPIPERIZINE COMPOUND DAINIPPON SUMITOMO PHARMA CO (JP) 2013-11-14 — — US disclosed
US-8557998-B2 Benzylpiperizine compound DAINIPPON SUMITOMO PHARMA CO., LTD (JP) 2013-10-15 — — US disclosed
US-20120259122-A1 BENZYLPIPERIZINE COMPOUND DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2012-10-11 — — US disclosed
US-8232405-B2 Benzylpiperizine compound DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2012-07-31 — — US disclosed
US-20110118312-A1 BENZYLPIPERIZINE COMPOUND DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2011-05-19 — — US disclosed
US-7572790-B2 Biphenyl carboxylic amide p38 kinase inhibitors SMITHKLINE BEECHAM CORPORATION (US) 2009-08-11 — — US disclosed
US-20070129354-A1 Biphenyl carboxylic amide p38 kinase inhibitors GLAXOSMITHKLINE LLC 2007-06-07 — — US disclosed
EP-1608616-A1 BIPHENYL CARBOXYLIC AMIDE P38 KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2005-12-28 — — EP disclosed
WO-2004089874-A1 BIPHENYL CARBOXYLIC AMIDE P38 KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2004-10-21 — — 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 (8 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-11708334-B2 Inhibitors of NLRP3 inflammasome NLRP3, NLRP1, PYCARD MAPT 621/4885SMN1; SMN2 4532/4885RAB9A 3366/4885
US-20070129354-A1 Biphenyl carboxylic amide p38 kinase inhibitors MAPK1, MAPKAPK2, MAPK7 MAPT 964/4885SMN1; SMN2 3191/4885RAB9A 963/4885
US-20130303786-A1 BENZYLPIPERIZINE COMPOUND OPRM1, GRM1, CHRM1 MAPT 3712/4885SMN1; SMN2 2789/4885RAB9A 3105/4885
US-20120259122-A1 BENZYLPIPERIZINE COMPOUND OPRM1, GRM1, CHRM1 MAPT 3712/4885SMN1; SMN2 2789/4885RAB9A 3105/4885
US-20240067610-A1 INHIBITORS OF NLRP3 INFLAMMASOME NLRP3, PYCARD, CASP1 MAPT 432/4885SMN1; SMN2 4410/4885RAB9A 3974/4885
US-20110118312-A1 BENZYLPIPERIZINE COMPOUND OPRM1, GRM1, CHRM1 MAPT 3712/4885SMN1; SMN2 2789/4885RAB9A 3105/4885
US-11702391-B2 Inhibitors of NLRP3 inflammasome NLRP3, CASP1, PYCARD MAPT 613/4885SMN1; SMN2 4487/4885RAB9A 3916/4885
US-20230365507-A1 INHIBITORS OF NLRP3 INFLAMMASOME NLRP3, PYCARD, CASP1 MAPT 432/4885SMN1; SMN2 4410/4885RAB9A 3974/4885

“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.