SCHEMBL568296

SCHEMBL568296

COC(=O)c1ccc(S(C)(=O)=O)o1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.72
HTT P42858 4/20 0.72
TSHR P16473 2/20 0.60
MEN1 O00255 2/20 0.50
CYP1A2 P05177 2/20 0.50
KMT2A Q03164 2/20 0.50
CYP2C19 P33261 1/20 0.50
KDM4E B2RXH2 3/20 0.49
POLB P06746 2/20 0.46
NPSR1 Q6W5P4 1/20 0.45
ALOX12 P18054 1/20 0.44
LMNA P02545 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
SETD7 Q8WTS6 1/20 0.44
GAA P10253 1/20 0.44
CYP2C9 P11712 1/20 0.44
HPGD P15428 1/20 0.44
MAPT P10636 1/20 0.43
HSD17B10 Q99714 1/20 0.43
NPC1 O15118 1/20 0.43

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
SCHEMBL30511183 0.87 ALDH1A1 (0.74) ALDH1A1HTTTSHRMEN1CYP1A2
SCHEMBL24462026 0.86 ALDH1A1 (0.68) ALDH1A1HTTTSHRMEN1CYP1A2
SCHEMBL15851421 0.85 ALDH1A1 (0.72) ALDH1A1HTTTSHRMEN1CYP1A2
SCHEMBL490373 0.84 ALDH1A1 (0.70) ALDH1A1HTTTSHRMEN1CYP1A2
SCHEMBL2420165 0.84 ALDH1A1 (0.70) ALDH1A1HTTTSHRMEN1CYP1A2
SCHEMBL2008225 0.84 ALDH1A1 (1.00) ALDH1A1HTTTSHRMEN1CYP1A2
SCHEMBL2420163 0.82 ALDH1A1 (0.68) ALDH1A1HTTTSHRMEN1CYP1A2
SCHEMBL15880660 0.82 ALDH1A1 (0.68) ALDH1A1HTTTSHRMEN1CYP1A2
SCHEMBL24462105 0.82 HTT (0.68) ALDH1A1HTTTSHRMEN1CYP1A2
SCHEMBL1167382 0.81 HDAC4 (0.54) ALDH1A1HTTTSHRKDM4EPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118684633-A Androgen receptor modulators and methods of use thereof 埃萨制药股份有限公司 2024-09-24 CN disclosed
CN-113195441-B Androgen receptor modulators and methods of use thereof 埃萨制药股份有限公司 2024-07-12 CN disclosed
CN-116897155-A Benzothiazolyl bicyclo [1.1.1] pentane derivatives for the treatment and prevention of hepatitis b virus infection 豪夫迈·罗氏有限公司 2023-10-17 CN disclosed
EP-4247810-A1 N-[(1,3-BENZOXAZOL-2-YL)-HETEROCYCLE]AMIDE DERIVATIVES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION F. Hoffmann-La Roche AG (CH) 2023-09-27 EP disclosed
US-20230286929-A1 AROMATIC BRIDGED RING AMIDE DERIVATIVES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION HOFFMANN-LA ROCHE INC. (US) 2023-09-14 US disclosed
US-20230286969-A1 AROMATIC SPIRO RING AMIDE DERIVATIVES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION HOFFMANN-LA ROCHE INC. (US) 2023-09-14 US disclosed
US-20230286929-A1 AROMATIC BRIDGED RING AMIDE DERIVATIVES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION HOFFMANN-LA ROCHE INC. (US) 2023-09-14 US disclosed
US-20230286969-A1 AROMATIC SPIRO RING AMIDE DERIVATIVES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION HOFFMANN-LA ROCHE INC. (US) 2023-09-14 US disclosed
US-20230286929-A1 AROMATIC BRIDGED RING AMIDE DERIVATIVES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION HOFFMANN-LA ROCHE INC. (US) 2023-09-14 US disclosed
CN-116529246-A N- [ (1, 3-benzoxazol-2-yl) -heterocycle ] amide derivatives for the treatment and prevention of hepatitis b virus infection 豪夫迈·罗氏有限公司 2023-08-01 CN disclosed
US-20110086846-A1 Azaindazole Compounds As CCR1 Receptor Antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-04-14 US disclosed
US-20110086846-A1 Azaindazole Compounds As CCR1 Receptor Antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-04-14 US disclosed
US-20110086846-A1 Azaindazole Compounds As CCR1 Receptor Antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-04-14 US disclosed
US-7879873-B2 Azaindazole compounds as CCR1 receptor antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-02-01 US disclosed
US-7879873-B2 Azaindazole compounds as CCR1 receptor antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-02-01 US disclosed
US-20100093724-A1 Azaindazole Compounds As CCR1 Receptor Antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-04-15 US disclosed
US-20100093724-A1 Azaindazole Compounds As CCR1 Receptor Antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-04-15 US disclosed
WO-2010036632-A1 AZAINDAZOLE COMPOUNDS AS CCR1 RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-04-01 WO disclosed
WO-2010036632-A1 AZAINDAZOLE COMPOUNDS AS CCR1 RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-04-01 WO disclosed
US-20080262042-A1 1-[5-(2-Fluoropyridin-3-yl)-1-(phenylsulfonyl)-1H-pyrrol-3-yl]-N-methylmethanamine or a salt thereof; acid secretion inhibitor; potassium-competitive acid blocker TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-10-23 US 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 (5 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-20110086846-A1 Azaindazole Compounds As CCR1 Receptor Antagonists CCR1, CCR3, CCR4 ALDH1A1 523/4885HTT 4591/4885TSHR 1193/4885
US-20100093724-A1 Azaindazole Compounds As CCR1 Receptor Antagonists CCR1, CCR3, CCR4 ALDH1A1 523/4885HTT 4591/4885TSHR 1193/4885
US-20080262042-A1 1-[5-(2-Fluoropyridin-3-yl)-1-(phenylsulfonyl)-1H-pyrrol-3-yl]-N-methylmethanamine or a salt thereof; acid secretion inhibitor; potassium-competitive acid blocker REN, HRH2, ATP4A ALDH1A1 1650/4885HTT 1563/4885TSHR 155/4885
US-20230286929-A1 AROMATIC BRIDGED RING AMIDE DERIVATIVES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION HAVCR2, CYP4B1, CYP2E1 ALDH1A1 193/4885HTT 4590/4885TSHR 1934/4885
US-20230286969-A1 AROMATIC SPIRO RING AMIDE DERIVATIVES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION HAVCR2, NR1H4, SLC10A1 ALDH1A1 310/4885HTT 3950/4885TSHR 623/4885

“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.