SCHEMBL1018173

SCHEMBL1018173

CN(c1ccc(C(=O)O)c(Cl)c1)S(C)(=O)=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.49
TSHR P16473 1/20 0.49
CASP1 P29466 1/20 0.49
PTGDR2 Q9Y5Y4 2/20 0.47
MAPT P10636 6/20 0.46
LMNA P02545 3/20 0.46
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
USP2 O75604 1/20 0.46
HTT P42858 3/20 0.43
PKM P14618 1/20 0.43
MYC P01106 1/20 0.43
NR4A1 P22736 1/20 0.43
ALDH1A1 P00352 1/20 0.42
FLT1 P17948 1/20 0.41
FLT4 P35916 1/20 0.41
KDR P35968 1/20 0.41
KDM4E B2RXH2 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
RECQL P46063 1/20 0.39

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
SCHEMBL7690653 0.85 SMN1; SMN2 (0.50) SMN1; SMN2TSHRCASP1LMNAMEN1
SCHEMBL1020557 0.83 KMT2A (0.52) SMN1; SMN2TSHRPTGDR2MAPTLMNA
SCHEMBL17142873 0.81 SMN1; SMN2 (0.57) SMN1; SMN2TSHRCASP1MAPTMEN1
SCHEMBL7689754 0.81 L3MBTL1 (0.40) SMN1; SMN2TSHRPTGDR2MAPTLMNA
SCHEMBL7688037 0.81 RXRA (0.44) SMN1; SMN2PTGDR2MAPTLMNAMEN1
SCHEMBL12018096 0.79 MAPT (0.48) SMN1; SMN2PTGDR2MAPTLMNAMEN1
SCHEMBL20663688 0.78 TSHR (0.53) SMN1; SMN2TSHRCASP1MAPTLMNA
SCHEMBL1015441 0.77 MCL1 (0.52) SMN1; SMN2ALDH1A1
SCHEMBL27707395 0.77 SMN1; SMN2 (0.52) SMN1; SMN2TSHRCASP1MAPTLMNA
SCHEMBL7685089 0.76 PKM (0.50) SMN1; SMN2TSHRMAPTLMNAMEN1

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 33 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-20210070707-A1 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING GENENTECH, INC. (US) 2021-03-11 US disclosed
US-20200190030-A1 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING GENENTECH, INC. (US) 2020-06-18 US disclosed
US-20180258043-A1 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING GENENTECH, INC. (US) 2018-09-13 US disclosed
US-20180029984-A1 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING GENENTECH, INC. (US) 2018-02-01 US disclosed
US-9790183-B2 Pyridyl inhibitors of hedgehog signalling GENENTECH, INC. (US) 2017-10-17 US disclosed
US-20170015627-A1 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING GENENTECH, INC. (US) 2017-01-19 US disclosed
US-20160152569-A1 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING GENENTECH, INC. (US) 2016-06-02 US disclosed
US-9321761-B2 Pyridyl inhibitors of hedgehog signalling CURIS, INC. (US) 2016-04-26 US disclosed
WO-2006028958-A2 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING GENENTECH, INC. (US) 2006-03-16 WO disclosed
US-6855843-B2 Inhibitors of α4 mediated cell adhesion TANABE SEIYAKU CO., LTD. (JP) 2005-02-15 US disclosed
US-20030191118-A1 Inhibitors of alpha4 mediated cell adhesion TANABE SEIYAKU CO., LTD. 2003-10-09 US disclosed
US-6521666-B1 Inhibitors of α4 mediated cell adhesion TANABE SEIYAKU CO., LTD. (JP) 2003-02-18 US disclosed
US-20020045551-A1 4-benzoyl isoxazoles derivatives and their use as herbicides MUSIL TIBOR (GB) 2002-04-18 US disclosed
EP-1049662-A1 INHIBITORS OF ALPHA4 MEDIATED CELL ADHESION TANABE SEIYAKU CO., LTD. (JP) 2000-11-08 EP disclosed
WO-1999036393-A1 INHIBITORS OF α4 MEDIATED CELL ADHESION TANABE SEIYAKU CO., LTD. (JP) 1999-07-22 WO disclosed
CN-1037437-C New herbicides RHONE POULENC AGRICULTURE 1998-02-18 CN disclosed
CN-1100261-A Herbicides RHONE POULENC AGRICULTURE (GB) 1995-03-22 CN disclosed
CN-1089258-A New herbicides RHONE POULENC AGRICULTURE (GB) 1994-07-13 CN 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 (10 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-20200190030-A1 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING SHH, GLI1, SMO SMN1; SMN2 4094/4885TSHR 421/4885CASP1 2749/4885
US-20160152569-A1 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING SHH, GLI1, SMO SMN1; SMN2 4094/4885TSHR 421/4885CASP1 2749/4885
US-20230265054-A1 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING SHH, GLI1, SMO SMN1; SMN2 4094/4885TSHR 421/4885CASP1 2749/4885
US-20240116872-A1 PYRIDYL INHIBITORS FOR HEDGEHOG SIGNALLING SHH, GLI1, SMO SMN1; SMN2 4106/4885TSHR 453/4885CASP1 2694/4885
US-20030191118-A1 Inhibitors of alpha4 mediated cell adhesion ITGB4, ITGA4, VCAM1 SMN1; SMN2 3671/4885TSHR 2994/4885CASP1 1301/4885
US-20180029984-A1 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING SHH, GLI1, SMO SMN1; SMN2 4094/4885TSHR 421/4885CASP1 2749/4885
US-20210070707-A1 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING SHH, GLI1, SMO SMN1; SMN2 4094/4885TSHR 421/4885CASP1 2749/4885
US-20180258043-A1 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING SHH, GLI1, SMO SMN1; SMN2 4094/4885TSHR 421/4885CASP1 2749/4885
US-20020045551-A1 4-benzoyl isoxazoles derivatives and their use as herbicides CBR3, CBR1, GLRA3 SMN1; SMN2 3433/4885TSHR 174/4885CASP1 2185/4885
US-20170015627-A1 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING SHH, GLI1, SMO SMN1; SMN2 4094/4885TSHR 421/4885CASP1 2749/4885

“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.