SCHEMBL5897971

SCHEMBL5897971

Cc1cc(O)cc(S(C)(=O)=O)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.52
ENPP2 Q13822 2/20 0.48
HCAR1 Q9BXC0 1/20 0.43
RAPGEF4 Q8WZA2 1/20 0.41
CYTH2 Q99418 2/20 0.39
POLB P06746 2/20 0.37
TSHR P16473 2/20 0.37
MEN1 O00255 1/20 0.37
NPC1 O15118 1/20 0.37
PTP4A3 O75365 1/20 0.37
GMNN O75496 1/20 0.37
LMNA P02545 1/20 0.37
ESR1 P03372 1/20 0.37
TP53 P04637 1/20 0.37
CYP1A1 P04798 1/20 0.37
CYP1A2 P05177 1/20 0.37
ELANE P08246 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
MAPT P10636 1/20 0.37

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
SCHEMBL18503846 0.85 ENPP2 (0.56) ALDH1A1ENPP2CYTH2LMNAPTGS2
SCHEMBL3507953 0.83 PTGS2 (0.41) ALDH1A1ENPP2RAPGEF4TSHRMAPT
SCHEMBL13730896 0.76 CA12 (0.50) ENPP2HCAR1PTGS2CA1
SCHEMBL309415 0.76 ENPP2 (0.46) ENPP2TSHRLMNACYP3A4TDP1
SCHEMBL309183 0.76 ENPP2 (0.46) ENPP2CYTH2LMNAPTGS2
SCHEMBL30633579 0.76 ENPP2 (0.46) ENPP2TSHRLMNACYP3A4TDP1
SCHEMBL13731463 0.76 ENPP2 (0.46) ENPP2HCAR1POLBLMNACYP3A4
Orcinol SCHEMBL1046168 0.75 ALDH1A1 (0.63) ALDH1A1HCAR1RAPGEF4CYTH2POLB
SCHEMBL5897967 0.74 PTGS2 (0.36) ALDH1A1ENPP2RAPGEF4MAPTKMT2A
SCHEMBL30017927 0.74 ALDH1A1 (0.93) ALDH1A1HCAR1RAPGEF4POLBTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6620823-B2 Antiinflammatory agents; rheumatic disorders BRISTOL-MYERS SQUIBB PHARME COMPANY 2003-09-16 US claimed
EP-4419532-A1 FUSED BICYCLIC HETEROARYL COMPOUNDS USEFUL AS NLRP3 INHIBITORS F. Hoffmann-La Roche AG (CH) 2024-08-28 EP disclosed
US-20240279237-A1 FUSED BICYCLIC HETEROARYL COMPOUNDS USEFUL AS NLRP3 INHIBITORS HOFFMANN-LA ROCHE INC. (US) 2024-08-22 US disclosed
CN-118119626-A Fused bicyclic heteroaryl compounds useful as NLRP3 inhibitors 豪夫迈·罗氏有限公司 2024-05-31 CN disclosed
WO-2023066825-A1 FUSED BICYCLIC HETEROARYL COMPOUNDS USEFUL AS NLRP3 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2023-04-27 WO disclosed
US-6984648-B2 Cyclic β-amino acid derivatives as inhibitors of matrix metalloproteases and TNF-α BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2006-01-10 US disclosed
US-6962938-B2 Spiro-cyclic β-amino acid derivatives as inhibitors of matrix metalloproteases and TNF-α converting enzyme (TACE) BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2005-11-08 US disclosed
US-6884806-B2 Bicyclic lactam derivatives as inhibitors of matrix metalloproteinases and/or TNF-α converting enzyme (TACE) BRISTOL-MYERS SQUIBB COMPANY (US) 2005-04-26 US disclosed
US-6743807-B2 TREATMENT OF RHEUMATOID AND OSTEOARTHRITIS, CORNEAL, EPIDERMAL OR GASTRIC ULCERATION, TUMOR METASTASIS OR INVASION, PERIODONTAL DISEASE AND BONE DISEASE BRISTOL-MYERS SQUIBB PHARMA COMPANY 2004-06-01 US disclosed
US-6720329-B2 ANTIINFLAMMATORY AGENTS BRISTOL-MYERS SQUIBB PHARMA 2004-04-13 US disclosed
US-6495565-B2 FOR THERAPY OF ACUTE INFECTION, ACUTE PHASE RESPONSE, AGE RELATED MACULAR DEGENERATION, ALCOHOLISM, ANOREXIA, ASTHMA, AUTOIMMUNE DISEASE, AUTOIMMUNE HEPATITIS, BECHET'S DISEASE, CACHEXIA, CALCIUM PYROPHOSPHATE DIHYDRTATE DEPOSITION BRISTOL-MYERS SQUIBB PHARMA COMPANY 2002-12-17 US disclosed
US-6495548-B1 SUCH AS 3-((2,2-DIMETHYL-1-OXOPROPYL)AMINO)-N-HYDROXY-1-(4-((2-METHYL-4 -QUINOLINYL)METHOXY)PHENYL)-2-OXO-3-PYRROLIDINE ACETAMIDE; PREVENTING UNCONTROLLED BREAKDOWN OF CONNECTIVE TISSUE BRISTOL-MYERS SQUIBB PHARMA COMPANY 2002-12-17 US disclosed
US-6455522-B1 ANTIINFLAMMATORY AGENTS; AGGRECANASE AND TUMOR NECROSIS FACTOR INHIBITORS BRISTOL-MYERS SQUIBB PHARMA COMPANY 2002-09-24 US disclosed
US-6403632-B1 CYCLIC AMIDE DERIVATIVE BRISTOL MYERS SQUIBB PHARMA CO (US) 2002-06-11 US disclosed
EP-1165546-A2 NOVEL LACTAM INHIBITORS OF MATRIX METALLOPROTEINASES, TNF-ALPHA, AND AGGRECANASE Du Pont Pharmaceuticals Company (US) 2002-01-02 EP disclosed
CN-1272841-A Novel lactam metalloprotease inhibitors DU PONT PHARM CO (US) 2000-11-08 CN disclosed
WO-2000059285-A2 NOVEL LACTAM INHIBITORS OF MATRIX METALLOPROTEINASES, TNF-α, AND AGGRECANASE DU PONT PHARMACEUTICALS COMPANY (US) 2000-10-12 WO disclosed
EP-1027332-A1 NOVEL LACTAM METALLOPROTEASE INHIBITORS Du Pont Pharmaceuticals Company (US) 2000-08-16 EP disclosed
US-6057336-A ANTIINFLAMMATORY AGENTS E. I. DU PONT DE NEMOURS AND COMPANY (US) 2000-05-02 US disclosed
WO-1999018074-A1 NOVEL LACTAM METALLOPROTEASE INHIBITORS Britol-Myers Squibb Pharma Company (US) 1999-04-15 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 (1 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-20240279237-A1 FUSED BICYCLIC HETEROARYL COMPOUNDS USEFUL AS NLRP3 INHIBITORS NLRP3, NOD1, NLRP1 ALDH1A1 2364/4885ENPP2 2023/4885HCAR1 34/4885

“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.