SCHEMBL1016312

SCHEMBL1016312

CCC(C)NS(=O)(=O)c1cccc(C(=O)O)c1

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.57
CA1 P00915 1/20 0.56
CA2 P00918 1/20 0.56
MEP1B Q16820 2/20 0.55
AKR1C3 P42330 5/20 0.53
F2 P00734 2/20 0.52
PRSS1 P07477 2/20 0.52
PRSS2 P07478 2/20 0.52
PRSS3 P35030 2/20 0.52
SMN1; SMN2 Q16637 1/20 0.51
HDAC8 Q9BY41 1/20 0.50
HDAC6 Q9UBN7 1/20 0.50
KDM4E B2RXH2 1/20 0.50
TSHR P16473 1/20 0.50
PTK2B Q14289 1/20 0.50
HTR2B P41595 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
SCHEMBL17094951 1.00 CYP2C19 (0.57) CYP2C19CA1CA2MEP1BAKR1C3
SCHEMBL26144924 0.88 CYP2C19 (0.57) CYP2C19CA1CA2MEP1BAKR1C3
SCHEMBL13543487 0.88 CA1 (0.62) CYP2C19CA1CA2MEP1BAKR1C3
SCHEMBL26144925 0.86 CYP2C19 (0.52) CYP2C19CA1CA2MEP1BAKR1C3
SCHEMBL26144930 0.85 CYP2C19 (0.57) CYP2C19CA1CA2MEP1BAKR1C3
SCHEMBL26144931 0.84 CA1 (0.57) CYP2C19CA1CA2MEP1BAKR1C3
SCHEMBL16197361 0.81 TDP1 (0.55) CA2MEP1BSMN1; SMN2
SCHEMBL18740475 0.81 POLB (0.56) CYP2C19CA1CA2AKR1C3F2
SCHEMBL18740472 0.81 POLB (0.56) CYP2C19CA1CA2AKR1C3F2
SCHEMBL3971671 0.81 SMN1; SMN2 (0.74) CYP2C19CA2SMN1; SMN2TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240116872-A1 PYRIDYL INHIBITORS FOR HEDGEHOG SIGNALLING GENENTECH, INC. (US) 2024-04-11 US disclosed
US-20230265054-A1 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING GENENTECH, INC. (US) 2023-08-24 US disclosed
US-20230147507-A1 INDOLINE COMPOUNDS FOR INHIBITING KIF18A VOLASTRA THERAPEUTICS, INC. (US) 2023-05-11 US disclosed
US-20230147507-A1 INDOLINE COMPOUNDS FOR INHIBITING KIF18A VOLASTRA THERAPEUTICS, INC. (US) 2023-05-11 US disclosed
CN-113444063-A Sulfamoyl-arylamides and their use as medicaments for the treatment of hepatitis B 爱尔兰詹森科学公司 2021-09-28 CN disclosed
CN-113321632-A Sulfamoyl-arylamides and their use as medicaments for the treatment of hepatitis B 爱尔兰詹森科学公司 2021-08-31 CN disclosed
EP-2890375-B1 SULFAMOYL-ARYLAMIDES AND THE USE THEREOF AS MEDICAMENTS FOR THE TREATMENT OF HEPATITIS B JANSSEN SCIENCES IRELAND UNLIMITED CO (IE) 2021-07-28 EP disclosed
US-10995064-B2 Sulfamoyl-arylamides and the use thereof as medicaments for the treatment of hepatitis B JANSSEN SCIENCES IRELAND UC (IE) 2021-05-04 US disclosed
US-20210070707-A1 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING GENENTECH, INC. (US) 2021-03-11 US disclosed
US-20210024462-A1 SULFAMOYL-ARYLAMIDES AND THE USE THEREOF AS MEDICAMENTS FOR THE TREATMENT OF HEPATITIS B JANSSEN SCIENCES IRELAND UNLIMITED CO (IE) 2021-01-28 US disclosed
EP-1789390-B1 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING GENENTECH INC (US) 2011-11-09 EP disclosed
US-20110092461-A1 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING CURIS ROYALTY LLC 2011-04-21 US disclosed
US-7888364-B2 Pyridyl inhibitors of hedgehog signalling CURIS, INC. (US) 2011-02-15 US disclosed
EP-2271642-A2 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING Genentech, Inc. (US) 2011-01-12 EP disclosed
US-20090281089-A1 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING GENENTECH, INC. (US) 2009-11-12 US disclosed
WO-2009126863-A2 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING GENENTECH, INC. (US) 2009-10-15 WO disclosed
CN-101072755-A Pyridyl inhibitors of Hedgehog signaling GENENTECH INC (US) 2007-11-14 CN disclosed
EP-1789390-A2 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING Genentech, Inc. (US) 2007-05-30 EP disclosed
US-20060063779-A1 Pyridyl inhibitors of hedgehog signalling CURIS ROYALTY LLC 2006-03-23 US disclosed
WO-2006028958-A2 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING GENENTECH, INC. (US) 2006-03-16 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 (9 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-20230265054-A1 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING SHH, GLI1, SMO CYP2C19 4731/4885CA1 4396/4885CA2 3856/4885
US-20240116872-A1 PYRIDYL INHIBITORS FOR HEDGEHOG SIGNALLING SHH, GLI1, SMO CYP2C19 4721/4885CA1 4482/4885CA2 3954/4885
US-20230147507-A1 INDOLINE COMPOUNDS FOR INHIBITING KIF18A KIF18A, KIF18B, KIF2C CYP2C19 4696/4885CA1 3796/4885CA2 3528/4885
US-20210070707-A1 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING SHH, GLI1, SMO CYP2C19 4731/4885CA1 4396/4885CA2 3856/4885
US-20090281089-A1 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING SHH, GLI1, SMO CYP2C19 4731/4885CA1 4396/4885CA2 3856/4885
US-10995064-B2 Sulfamoyl-arylamides and the use thereof as medicaments for the treatment of hepatitis B SULT2A1, HCCS, SULT1A1 CYP2C19 447/4885CA1 4327/4885CA2 3623/4885
US-20060063779-A1 Pyridyl inhibitors of hedgehog signalling SHH, GLI1, SMO CYP2C19 4731/4885CA1 4396/4885CA2 3856/4885
US-20110092461-A1 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING SHH, GLI1, SMO CYP2C19 4731/4885CA1 4396/4885CA2 3856/4885
US-20210024462-A1 SULFAMOYL-ARYLAMIDES AND THE USE THEREOF AS MEDICAMENTS FOR THE TREATMENT OF HEPATITIS B SULT2A1, HCCS, SULT1A1 CYP2C19 447/4885CA1 4327/4885CA2 3623/4885

“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.