Sugi Predict

Sugi Predict / Compounds / SCHEMBL6601501

SCHEMBL6601501

SCHEMBL6601501

CCOc1ccc(C(=O)OC)cc1Br

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 6/20 0.59
▸ MEN1 O00255 3/20 0.59
▸ KMT2A Q03164 3/20 0.59
▸ ALDH1A1 P00352 2/20 0.59
▸ LMNA P02545 2/20 0.59
▸ MAPK1 P28482 2/20 0.54
▸ NPC1 O15118 1/20 0.54
▸ SMN1; SMN2 Q16637 4/20 0.53
▸ TP53 P04637 2/20 0.53
▸ NOTUM Q6P988 1/20 0.53
▸ CREBBP Q92793 2/20 0.52
▸ KDM4E B2RXH2 1/20 0.52
▸ HTT P42858 1/20 0.52
▸ L3MBTL1 Q9Y468 1/20 0.51
▸ ALOX15 P16050 1/20 0.50
▸ ALOX12 P18054 1/20 0.50
▸ NR4A1 P22736 1/20 0.50
▸ HSD17B10 Q99714 1/20 0.50
▸ TSHR P16473 1/20 0.50
▸ NCOA1 Q15788 1/20 0.49

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
SCHEMBL6294921 0.88 THRA (0.51) MAPTMEN1KMT2AALDH1A1LMNA
SCHEMBL733132 0.87 TSHR (0.50) MAPTMEN1KMT2AALDH1A1LMNA
SCHEMBL10269561 0.86 THRA (0.56) MAPTMEN1KMT2AALDH1A1NPC1
SCHEMBL17386157 0.86 NOTUM (0.51) MAPTMEN1KMT2AALDH1A1LMNA
SCHEMBL1808476 0.85 TSHR (0.63) MAPTALDH1A1LMNAMAPK1NPC1
SCHEMBL20906136 0.84 MAPT (0.45) MAPTMEN1KMT2AALDH1A1LMNA
SCHEMBL15068193 0.84 NOTUM (0.50) MAPTMEN1KMT2AALDH1A1LMNA
SCHEMBL26926530 0.84 THRA (0.64) MEN1KMT2AALDH1A1KDM4E
SCHEMBL31380049 0.84 THRA (0.64) MEN1KMT2AALDH1A1KDM4E
SCHEMBL3389485 0.83 CREBBP (0.66) MAPTMEN1KMT2AALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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-10023592-B2 Bromodomain inhibitors CELGENE QUANTICEL RESEARCH, INC. (US) 2018-07-17 — — US disclosed
US-20170158709-A1 BROMODOMAIN INHIBITORS CELGENE QUANTICEL RES INC (US) 2017-06-08 — — US disclosed
US-9598372-B2 Bromodomain inhibitors CELGENE QUANTICEL RESEARCH, INC. (US) 2017-03-21 — — US disclosed
US-9115114-B2 Bromodomain inhibitors Quanticel Pharmaceuticals, Inc. (US) 2015-08-25 — — US disclosed
US-20150183784-A1 BROMODOMAIN INHIBITORS CELGENE QUANTICEL RESEARCH, INC. 2015-07-02 — — US disclosed
US-9034900-B2 Bromodomain inhibitors Quanticel Pharmaceuticals, Inc. (US) 2015-05-19 — — US disclosed
US-20150111885-A1 BROMODOMAIN INHIBITORS CELGENE QUANTICEL RESEARCH, INC. 2015-04-23 — — US disclosed
CN-100546970-C A kind of synthetic method of bromo benzoic ether GUANGZHOU CHEMISTRY INST CAS (CN) 2009-10-07 — — CN disclosed
CN-1850775-A Method for synthesizing bromo benzoic ether GUANGZHOU CHEMISTRY INST CAS (CN) 2006-10-25 — — CN disclosed
EP-1042296-B1 SUBSTITUTED ISOQUINOLINE DERIVATIVES AND THEIR USE AS ANTICONVULSANTS SMITHKLINE BEECHAM PLC (GB) 2004-02-25 — — EP disclosed
CN-1125052-C Substituted isoquinoline derivatives and their use as anticonvulsants SMITHKLINE BEECHAM PLC (GB) 2003-10-22 — — CN disclosed
US-6248754-B1 PSYCHOLOGICAL DISORDERS SMITHKLINE BEECHAM, P.L.C. (GB) 2001-06-19 — — US disclosed
CN-1284946-A Substituted isoquinoline derivatives and their use as anticonvulsants SMITHKLINE BEECHAM PLC (GB) 2001-02-21 — — CN 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 621/4885MEN1 4508/4885KMT2A 4379/4885
US-20170158709-A1 BROMODOMAIN INHIBITORS BRD3, EP300, BRPF3 MAPT 2462/4885MEN1 3343/4885KMT2A 77/4885
US-20150111885-A1 BROMODOMAIN INHIBITORS BRD3, EP300, BRPF3 MAPT 2462/4885MEN1 3343/4885KMT2A 77/4885
US-10023592-B2 Bromodomain inhibitors BRD3, EP300, BRPF3 MAPT 2462/4885MEN1 3343/4885KMT2A 77/4885
US-20240067610-A1 INHIBITORS OF NLRP3 INFLAMMASOME NLRP3, PYCARD, CASP1 MAPT 432/4885MEN1 4462/4885KMT2A 4544/4885
US-11702391-B2 Inhibitors of NLRP3 inflammasome NLRP3, CASP1, PYCARD MAPT 613/4885MEN1 4523/4885KMT2A 4633/4885
US-20150183784-A1 BROMODOMAIN INHIBITORS BRD3, EP300, BRPF3 MAPT 2462/4885MEN1 3343/4885KMT2A 77/4885
US-20230365507-A1 INHIBITORS OF NLRP3 INFLAMMASOME NLRP3, PYCARD, CASP1 MAPT 432/4885MEN1 4462/4885KMT2A 4544/4885

“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.