SCHEMBL4506502

SCHEMBL4506502

CCOc1ccc(C(=O)O)cc1Br

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.66
MAPT P10636 5/20 0.62
MEN1 O00255 3/20 0.62
KMT2A Q03164 3/20 0.62
ALDH1A1 P00352 2/20 0.62
LMNA P02545 2/20 0.62
POLB P06746 1/20 0.56
CASP6 P55212 1/20 0.56
HSD17B10 Q99714 3/20 0.56
NPC1 O15118 2/20 0.53
MAPK1 P28482 1/20 0.53
SMN1; SMN2 Q16637 5/20 0.52
TP53 P04637 2/20 0.52
KDM4E B2RXH2 1/20 0.51
HTT P42858 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.50
MRGPRX4 Q96LA9 1/20 0.50
USP2 O75604 1/20 0.50
RAB9A P51151 1/20 0.50
ALOX15 P16050 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
SCHEMBL177193 0.87 THRA (0.56) TSHRMAPTMEN1KMT2AALDH1A1
SCHEMBL3389485 0.86 CREBBP (0.66) MAPTMEN1KMT2AALDH1A1LMNA
SCHEMBL1932820 0.86 TSHR (0.66) TSHRMAPTMEN1KMT2AALDH1A1
SCHEMBL9622873 0.86 F2 (0.56) TSHRMAPTMEN1KMT2AALDH1A1
SCHEMBL11364819 0.85 THRA (0.66) TSHRMEN1KMT2AALDH1A1TP53
SCHEMBL27459572 0.85 MAPK1 (0.67) TSHRMAPTMEN1KMT2AALDH1A1
SCHEMBL6246000 0.85 MAPT (0.57) TSHRMAPTMEN1KMT2AALDH1A1
SCHEMBL6244283 0.84 MAPT (0.83) MAPTMEN1KMT2AALDH1A1LMNA
SCHEMBL5340855 0.84 TSHR (0.68) TSHRMEN1KMT2AALDH1A1LMNA
SCHEMBL9638859 0.84 THRA (0.68) TSHRALDH1A1TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103193633-A Preparation and application of 3-bromo-4-ethoxybenzoic acid UNIV QINGDAO AGRICULTURAL 2013-07-10 CN claimed
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
CN-103193633-A Preparation and application of 3-bromo-4-ethoxybenzoic acid UNIV QINGDAO AGRICULTURAL 2013-07-10 CN disclosed
CN-103193633-A Preparation and application of 3-bromo-4-ethoxybenzoic acid UNIV QINGDAO AGRICULTURAL 2013-07-10 CN disclosed
WO-2000009486-A1 SUBSTITUTED ISOQUINOLINE DERIVATIVES AND THEIR USE AS ANTICONVULSIVANTS SMITHKLINE BEECHAM P.L.C. (GB) 2000-02-24 WO disclosed
WO-2000008020-A2 TRICYCLIC CARBOXAMIDES SMITHKLINE BEECHAM P.L.C. (GB) 2000-02-17 WO disclosed
EP-0971897-A1 ANTI-CONVULSANT ISOQUINOLYL-BENZAMIDE DERIVATIVES SMITHKLINE BEECHAM PLC (GB) 2000-01-19 EP disclosed
EP-0968190-A1 SUBSTITUTED ISOQUINOLINE DERIVATIVES AND THEIR USE AS ANTICONVULSANTS SMITHKLINE BEECHAM PLC (GB) 2000-01-05 EP disclosed
WO-1999065903-A1 TETRAHYDRONAPHTHYRIDINYL-CARBOXAMIDES HAVING ANTI-CONVULSANT ACTIVITY SMITHKLINE BEECHAM PLC (GB) 1999-12-23 WO disclosed
WO-1999031068-A1 SUBSTITUTED ISOQUINOLINE DERIVATIVES AND THEIR USE AS ANTICONVULSANTS SMITHKLINE BEECHAM PLC (GB) 1999-06-24 WO disclosed
WO-1999021836-A1 SUBSTITUTED ISOQUINOLINE DERIVATIVES AND THEIR USE AS ANTICONVULSANTS SMITHKLINE BEECHAM PLC (GB) 1999-05-06 WO disclosed
WO-1998054184-A1 1,6-NAPHTHYRIDINE ANTI-CONVULSANTS SMITHKLINE BEECHAM PLC (GB) 1998-12-03 WO disclosed
WO-1998041507-A1 ANTI-CONVULSANT ISOQUINOLYL-BENZAMIDE DERIVATIVES SMITHKLINE BEECHAM PLC (GB) 1998-09-24 WO disclosed
WO-1998041508-A1 SUBSTITUTED ISOQUINOLINE DERIVATIVES AND THEIR USE AS ANTICONVULSANTS SMITHKLINE BEECHAM PLC (GB) 1998-09-24 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 (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-11708334-B2 Inhibitors of NLRP3 inflammasome NLRP3, NLRP1, PYCARD TSHR 4615/4885MAPT 621/4885MEN1 4508/4885
US-20240067610-A1 INHIBITORS OF NLRP3 INFLAMMASOME NLRP3, PYCARD, CASP1 TSHR 4549/4885MAPT 432/4885MEN1 4462/4885
US-11702391-B2 Inhibitors of NLRP3 inflammasome NLRP3, CASP1, PYCARD TSHR 4572/4885MAPT 613/4885MEN1 4523/4885
US-20230365507-A1 INHIBITORS OF NLRP3 INFLAMMASOME NLRP3, PYCARD, CASP1 TSHR 4549/4885MAPT 432/4885MEN1 4462/4885

“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.