SCHEMBL568367

SCHEMBL568367

CS(=O)(=O)c1ccc(C(=O)O)o1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 5/20 0.53
ALDH1A1 P00352 6/20 0.44
HTT P42858 1/20 0.44
POLB P06746 2/20 0.42
ESR1 P03372 1/20 0.42
NR4A1 P22736 1/20 0.42
APEX1 P27695 1/20 0.42
RECQL P46063 1/20 0.42
DUSP3 P51452 1/20 0.42
PTPN5 P54829 1/20 0.42
PTPN11 Q06124 1/20 0.42
ESR2 Q92731 1/20 0.42
CTDSP1 Q9GZU7 1/20 0.42
HPGD P15428 3/20 0.40
KMT2A Q03164 5/20 0.39
MEN1 O00255 2/20 0.39
KDM4E B2RXH2 1/20 0.39
HSD17B10 Q99714 1/20 0.39
TSHR P16473 1/20 0.38

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
SCHEMBL24462029 0.84 TDP1 (0.50) TDP1ALDH1A1HTTPOLBESR1
SCHEMBL12319524 0.83 ALDH1A1 (0.44) TDP1ALDH1A1HTTPOLBHPGD
SCHEMBL30511184 0.83 TDP1 (0.56) TDP1ALDH1A1HTTPOLBESR1
SCHEMBL12319004 0.82 ALDH1A1 (0.47) TDP1ALDH1A1HTTPOLBHPGD
SCHEMBL6427157 0.81 TDP1 (0.54) TDP1ALDH1A1HTTPOLBESR1
SCHEMBL24462107 0.80 TDP1 (0.50) TDP1ALDH1A1HTTPOLBESR1
SCHEMBL568226 0.80 ALDH1A1 (0.42) TDP1ALDH1A1HTTKMT2AMEN1
SCHEMBL15013774 0.79 ALDH1A1 (0.62) TDP1ALDH1A1HTTPOLBESR1
SCHEMBL18547769 0.79 TDP1 (0.53) TDP1ALDH1A1HTTPOLBESR1
SCHEMBL568296 0.79 ALDH1A1 (0.72) ALDH1A1HTTPOLBHPGDKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230391764-A1 BENZOTHIAZOLYL BICYCLO[1.1.1]PENTANE DERIVATIVES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION HOFFMANN-LA ROCHE INC. (US) 2023-12-07 US 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-4251622-A1 AROMATIC BRIDGED RING AMIDE DERIVATIVES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION F. Hoffmann-La Roche AG (CH) 2023-10-04 EP disclosed
EP-4251621-A1 AROMATIC SPIRO RING AMIDE DERIVATIVES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION F. Hoffmann-La Roche AG (CH) 2023-10-04 EP 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-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-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-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
CN-101903353-A Aminopyrazole derivatives ACTELION PHARMACEUTICALS LTD 2010-12-01 CN 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

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 TDP1 1686/4885ALDH1A1 523/4885HTT 4591/4885
US-20100093724-A1 Azaindazole Compounds As CCR1 Receptor Antagonists CCR1, CCR3, CCR4 TDP1 1686/4885ALDH1A1 523/4885HTT 4591/4885
US-20230286929-A1 AROMATIC BRIDGED RING AMIDE DERIVATIVES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION HAVCR2, CYP4B1, CYP2E1 TDP1 3564/4885ALDH1A1 193/4885HTT 4590/4885
US-20230286969-A1 AROMATIC SPIRO RING AMIDE DERIVATIVES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION HAVCR2, NR1H4, SLC10A1 TDP1 4377/4885ALDH1A1 310/4885HTT 3950/4885
US-20230391764-A1 BENZOTHIAZOLYL BICYCLO[1.1.1]PENTANE DERIVATIVES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION HAVCR2, SLC10A1, BCL2A1 TDP1 3838/4885ALDH1A1 59/4885HTT 4355/4885

“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.