SCHEMBL5032445

SCHEMBL5032445

Nc1cccc(S(=O)(=O)NCc2ccccc2)c1

nearest known ligand 0.85

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 2/20 0.85
PRMT1 Q99873 1/20 0.73
KEAP1 Q14145 1/20 0.69
POLB P06746 2/20 0.59
HDAC2 Q92769 2/20 0.59
HDAC8 Q9BY41 2/20 0.59
HDAC6 Q9UBN7 2/20 0.59
HTT P42858 1/20 0.59
CA12 O43570 2/20 0.58
CA9 Q16790 2/20 0.58
CA1 P00915 1/20 0.58
CA2 P00918 1/20 0.58
LMNA P02545 4/20 0.57
SLC12A2 P55011 1/20 0.57
SLC12A5 Q9H2X9 1/20 0.57
SMN1; SMN2 Q16637 2/20 0.55
CYP1A2 P05177 1/20 0.55
CYP3A4 P08684 1/20 0.55
ATM Q13315 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.55

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
SCHEMBL31339948 1.00 CYP19A1 (0.85) CYP19A1PRMT1KEAP1POLBHDAC2
SCHEMBL5032594 0.86 CYP19A1 (0.73) CYP19A1PRMT1KEAP1HTTLMNA
SCHEMBL1937574 0.84 PRMT1 (1.00) CYP19A1PRMT1POLBHDAC2HDAC8
SCHEMBL4615322 0.84 KEAP1 (0.69) CYP19A1PRMT1KEAP1POLBHDAC2
SCHEMBL4482487 0.83 CYP19A1 (0.67) CYP19A1PRMT1KEAP1POLBCA12
SCHEMBL12813108 0.83 CYP19A1 (0.76) CYP19A1PRMT1POLBLMNAALDH1A1
SCHEMBL2850010 0.83 CYP19A1 (0.72) CYP19A1PRMT1POLBHTTLMNA
Hydrochloric Acid SCHEMBL4010772 0.83 KEAP1 (0.67) CYP19A1PRMT1KEAP1POLBHDAC2
SCHEMBL407414 0.82 KEAP1 (1.00) PRMT1KEAP1POLBHDAC2HDAC8
SCHEMBL14025561 0.82 KEAP1 (0.71) CYP19A1KEAP1HDAC2HDAC8HDAC6

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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1761541-B1 PYRRAZOLO-PYRIMIDINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2008-01-09 EP claimed
EP-1761541-A1 PYRRAZOLO-PYRIMIDINE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2007-03-14 EP claimed
WO-2005123738-A1 PYRRAZOLO-PYRIMIDINE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2005-12-29 WO claimed
US-11440898-B2 Isoquinoline compounds, methods for their preparation, and therapeutic uses thereof in conditions associated with the alteration of the activity of beta galactosidase MINORYX THERAPEUTICS S.L. (ES) 2022-09-13 US disclosed
CN-110494432-B Isoquinoline compounds, methods of preparation thereof and therapeutic use thereof in disorders associated with altered beta-galactosidase activity 米尼奥尔克斯治疗有限公司 2022-08-12 CN disclosed
EP-3562821-B9 ISOQUINOLINE COMPOUNDS, METHODS FOR THEIR PREPARATION, AND THERAPEUTIC USES THEREOF IN CONDITIONS ASSOCIATED WITH THE ALTERATION OF THE ACTIVITY OF BETA GALACTOSIDASE MINORYX THERAPEUTICS S L (ES) 2021-05-26 EP disclosed
EP-3562821-B1 ISOQUINOLINE COMPOUNDS, METHODS FOR THEIR PREPARATION, AND THERAPEUTIC USES THEREOF IN CONDITIONS ASSOCIATED WITH THE ALTERATION OF THE ACTIVITY OF BETA GALACTOSIDASE MINORYX THERAPEUTICS S L (ES) 2020-12-02 EP disclosed
US-20200071294-A1 ISOQUINOLINE COMPOUNDS, METHODS FOR THEIR PREPARATION, AND THERAPEUTIC USES THEREOF IN CONDITIONS ASSOCIATED WITH THE ALTERATION OF THE ACTIVITY OF BETA GALACTOSIDASE MINORYX THERAPEUTICS S.L. (ES) 2020-03-05 US disclosed
EP-3562821-A1 ISOQUINOLINE COMPOUNDS, METHODS FOR THEIR PREPARATION, AND THERAPEUTIC USES THEREOF IN CONDITIONS ASSOCIATED WITH THE ALTERATION OF THE ACTIVITY OF BETA GALACTOSIDASE Minoryx Therapeutics S.L. (ES) 2019-11-06 EP disclosed
WO-2018122746-A1 ISOQUINOLINE COMPOUNDS, METHODS FOR THEIR PREPARATION, AND THERAPEUTIC USES THEREOF IN CONDITIONS ASSOCIATED WITH THE ALTERATION OF THE ACTIVITY OF BETA GALACTOSIDASE MINORYX THERAPEUTICS S.L. (ES) 2018-07-05 WO disclosed
CN-106146358-B Method for synthesizing amino- (N-alkyl) benzene sulfonamide 南京理工大学 2018-01-23 CN disclosed
CN-106146358-A Method for synthesizing amino- (N-alkyl) benzene sulfonamide 南京理工大学 2016-11-23 CN disclosed
US-7378417-B2 Pyrazolo-pyrimidine derivatives HOFFMANN-LA ROCHE INC. (US) 2008-05-27 US disclosed
EP-1761541-B1 PYRRAZOLO-PYRIMIDINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2008-01-09 EP disclosed
EP-1761541-A1 PYRRAZOLO-PYRIMIDINE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2007-03-14 EP disclosed
WO-2005123738-A1 PYRRAZOLO-PYRIMIDINE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2005-12-29 WO disclosed
US-20050282827-A1 Pyrazolo-pyrimidine derivatives F. HOFFMANN-LA ROCHE AG (CH) 2005-12-22 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 (3 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-20050282827-A1 Pyrazolo-pyrimidine derivatives P2RX3, P2RX1, P2RX5 CYP19A1 2174/4885PRMT1 798/4885KEAP1 1878/4885
US-11440898-B2 Isoquinoline compounds, methods for their preparation, and therapeutic uses thereof in conditions associated with the alteration of the activity of beta galactosidase GLB1, GBA1, GALC CYP19A1 2320/4885PRMT1 943/4885KEAP1 1707/4885
US-20200071294-A1 ISOQUINOLINE COMPOUNDS, METHODS FOR THEIR PREPARATION, AND THERAPEUTIC USES THEREOF IN CONDITIONS ASSOCIATED WITH THE ALTERATION OF THE ACTIVITY OF BETA GALACTOSIDASE GLB1, GBA1, GALC CYP19A1 2320/4885PRMT1 943/4885KEAP1 1707/4885

“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.