SCHEMBL2916019

SCHEMBL2916019

Cc1ccccc1S(=O)(=O)N1Cc2n[nH]c(NC(=O)CCC(=O)c3cccs3)c2C1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.44
ALDH1A1 P00352 4/20 0.43
NPC1 O15118 3/20 0.42
GAA P10253 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
PARP1 P09874 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
KMT2A Q03164 5/20 0.41
MEN1 O00255 4/20 0.41
CTNNB1 P35222 1/20 0.41
WNT3A P56704 1/20 0.41
KDM4E B2RXH2 1/20 0.39
POLB P06746 1/20 0.39
MAPT P10636 1/20 0.39
GFER P55789 1/20 0.39
PKM P14618 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
SCHEMBL2924165 0.87 SMN1; SMN2 (0.42) RAB9AALDH1A1NPC1L3MBTL1KMT2A
SCHEMBL2914971 0.87 DCTPP1 (0.43) RAB9AALDH1A1NPC1PARP1POLB
SCHEMBL2917426 0.87 PARP1 (0.40) RAB9AALDH1A1GAAPARP1KMT2A
SCHEMBL2924226 0.86 ALDH1A1 (0.46) RAB9AALDH1A1NPC1GAAL3MBTL1
SCHEMBL2922541 0.85 KMT2A (0.48) RAB9AALDH1A1NPC1GAAL3MBTL1
SCHEMBL2920656 0.85 POLB (0.45) ALDH1A1GAAL3MBTL1KMT2AMEN1
SCHEMBL2922372 0.82 L3MBTL1 (0.45) RAB9AALDH1A1NPC1GAAL3MBTL1
SCHEMBL2922167 0.80 KMT2A (0.45) NPC1L3MBTL1KMT2AMEN1MAPT
SCHEMBL2919389 0.80 HPGD (0.44) ALDH1A1GAAKMT2AMEN1MAPT
SCHEMBL2920043 0.80 KMT2A (0.47) RAB9AALDH1A1NPC1GAAL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1320531-B1 BICYCLO-PYRAZOLES ACTIVE AS KINASE INHIBITORS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM PFIZER ITALIA SRL (IT) 2010-09-08 EP claimed
US-7541354-B2 Bicyclo-pyrazoles PFIZER ITALIA S.R.L. (IT) 2009-06-02 US claimed
US-20030171357-A1 Bicyclo-pyrazoles active as kinase inhibitors, process for their preparation and pharmaceutical compositions comprising them NERVIANO MEDICAL SCIENCES S.R.L (IT) 2003-09-11 US claimed
US-8273765-B2 Bicyclo-pyrazoles and pharmaceutical compositions comprising them PFIZER ITALIA S.R.L. (IT) 2012-09-25 US disclosed
EP-1320531-B1 BICYCLO-PYRAZOLES ACTIVE AS KINASE INHIBITORS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM PFIZER ITALIA SRL (IT) 2010-09-08 EP disclosed
US-20090221632-A1 Bicyclo-Pyrazoles and Pharmaceutical Compositions Comprising Them PFIZER ITALIA S.R.L. (IT) 2009-09-03 US disclosed
US-7541354-B2 Bicyclo-pyrazoles PFIZER ITALIA S.R.L. (IT) 2009-06-02 US disclosed
US-7531531-B2 Method of treating diseases associated with altered kinase activity with bicyclo-pyrazoles PFIZER ITALIA S.R.L. (IT) 2009-05-12 US disclosed
US-20070191386-A1 Bicyclo-pyrazoles active as kinase inhibitors, process for their preparation and pharmaceutical compositions comprising them PFIZER ITALIA S.R.L. (IT) 2007-08-16 US disclosed
US-20030171357-A1 Bicyclo-pyrazoles active as kinase inhibitors, process for their preparation and pharmaceutical compositions comprising them NERVIANO MEDICAL SCIENCES S.R.L (IT) 2003-09-11 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-20070191386-A1 Bicyclo-pyrazoles active as kinase inhibitors, process for their preparation and pharmaceutical compositions comprising them MAP3K20, MAP3K19, MAP3K1 RAB9A 1223/4885ALDH1A1 4090/4885NPC1 2542/4885
US-20090221632-A1 Bicyclo-Pyrazoles and Pharmaceutical Compositions Comprising Them MAP3K20, PLK2, PRKAA1 RAB9A 1491/4885ALDH1A1 3455/4885NPC1 1048/4885
US-20030171357-A1 Bicyclo-pyrazoles active as kinase inhibitors, process for their preparation and pharmaceutical compositions comprising them MAP3K20, MAP3K19, MAP3K1 RAB9A 1223/4885ALDH1A1 4090/4885NPC1 2542/4885

“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.