SCHEMBL1019358

SCHEMBL1019358

CCN1CCN(S(=O)(=O)c2ccc(C(=O)O)cc2)CC1

nearest known ligand 0.67

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.62
KMT2A Q03164 2/20 0.56
MEN1 O00255 1/20 0.56
ALDH1A1 P00352 3/20 0.55
LMNA P02545 3/20 0.55
CYP2D6 P10635 1/20 0.55
RAB9A P51151 2/20 0.54
CYP2C9 P11712 1/20 0.53
HTT P42858 1/20 0.53
MAPT P10636 2/20 0.53
NPC1 O15118 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
AKR1C3 P42330 1/20 0.51

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
SCHEMBL13778047 0.83 MAPT (0.70) KMT2AMEN1ALDH1A1LMNARAB9A
SCHEMBL4911628 0.83 LMNA (0.77) POLBKMT2AMEN1ALDH1A1LMNA
SCHEMBL685172 0.82 POLB (0.67) POLBALDH1A1LMNACYP2D6MAPT
SCHEMBL1018297 0.81 KMT2A (0.52) KMT2AMEN1ALDH1A1LMNARAB9A
SCHEMBL13777923 0.81 POLB (0.69) POLBKMT2AMEN1ALDH1A1LMNA
SCHEMBL3350798 0.80 MAPT (0.72) POLBKMT2AMEN1ALDH1A1LMNA
SCHEMBL28356029 0.80 MAPT (0.67) POLBKMT2AMEN1ALDH1A1LMNA
SCHEMBL6690361 0.80 POLB (0.74) POLBKMT2AMEN1ALDH1A1LMNA
SCHEMBL1014480 0.80 KMT2A (0.60) KMT2AMEN1ALDH1A1LMNARAB9A
SCHEMBL5249470 0.80 POLB (0.68) POLBKMT2AMEN1ALDH1A1LMNA

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 28 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
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
US-20090182142-A1 Aromatic Compound FURUKUBO SHIGERU 2009-07-16 US disclosed
US-20090182142-A1 Aromatic Compound FURUKUBO SHIGERU 2009-07-16 US disclosed
US-20090182142-A1 Aromatic Compound FURUKUBO SHIGERU 2009-07-16 US disclosed
EP-1956009-A1 AROMATIC COMPOUND Mitsubishi Tanabe Pharma Corporation (JP) 2008-08-13 EP disclosed
EP-1956009-A1 AROMATIC COMPOUND Mitsubishi Tanabe Pharma Corporation (JP) 2008-08-13 EP 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 (11 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 POLB 4447/4885KMT2A 1528/4885MEN1 468/4885
US-20160152569-A1 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING SHH, GLI1, SMO POLB 4447/4885KMT2A 1528/4885MEN1 468/4885
US-20230265054-A1 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING SHH, GLI1, SMO POLB 4447/4885KMT2A 1528/4885MEN1 468/4885
US-20240116872-A1 PYRIDYL INHIBITORS FOR HEDGEHOG SIGNALLING SHH, GLI1, SMO POLB 4423/4885KMT2A 1487/4885MEN1 482/4885
US-20180029984-A1 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING SHH, GLI1, SMO POLB 4447/4885KMT2A 1528/4885MEN1 468/4885
US-20210070707-A1 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING SHH, GLI1, SMO POLB 4447/4885KMT2A 1528/4885MEN1 468/4885
US-20090281089-A1 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING SHH, GLI1, SMO POLB 4447/4885KMT2A 1528/4885MEN1 468/4885
US-20180258043-A1 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING SHH, GLI1, SMO POLB 4447/4885KMT2A 1528/4885MEN1 468/4885
US-20090182142-A1 Aromatic Compound HRH4, CCR4, HRH3 POLB 3202/4885KMT2A 1822/4885MEN1 4216/4885
US-20170015627-A1 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING SHH, GLI1, SMO POLB 4447/4885KMT2A 1528/4885MEN1 468/4885
US-20060063779-A1 Pyridyl inhibitors of hedgehog signalling SHH, GLI1, SMO POLB 4447/4885KMT2A 1528/4885MEN1 468/4885

“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.