SCHEMBL3699221

SCHEMBL3699221

CS(=O)(=O)N1CCC(CCCO)CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.51
ATM Q13315 1/20 0.47
TP53 P04637 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.40
NPSR1 Q6W5P4 2/20 0.40
TSHR P16473 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HTT P42858 1/20 0.39
HDAC3 O15379 4/20 0.38
HDAC4 P56524 4/20 0.38
HDAC1 Q13547 4/20 0.38
HDAC7 Q8WUI4 4/20 0.38
HDAC2 Q92769 4/20 0.38
HDAC10 Q969S8 4/20 0.38
HDAC11 Q96DB2 4/20 0.38
HDAC8 Q9BY41 4/20 0.38
HDAC6 Q9UBN7 4/20 0.38
HDAC9 Q9UKV0 4/20 0.38
HDAC5 Q9UQL6 4/20 0.38
AKR1C3 P42330 1/20 0.36

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
SCHEMBL13598984 0.83 ALDH1A1 (0.53) ALDH1A1ATMTP53L3MBTL1NPSR1
SCHEMBL23387577 0.82 ALDH1A1 (0.49) ALDH1A1ATMTP53L3MBTL1NPSR1
SCHEMBL23387582 0.81 ALDH1A1 (0.47) ALDH1A1ATMTP53L3MBTL1NPSR1
SCHEMBL560804 0.80 TP53 (0.48) ALDH1A1ATMTP53L3MBTL1NPSR1
SCHEMBL22604257 0.80 ALDH1A1 (0.50) ALDH1A1ATMTP53L3MBTL1NPSR1
SCHEMBL25944225 0.80 ALDH1A1 (0.50) ALDH1A1ATMTP53L3MBTL1NPSR1
SCHEMBL23710158 0.79 ALDH1A1 (0.49) ALDH1A1ATMTP53L3MBTL1NPSR1
SCHEMBL4486230 0.79 ALDH1A1 (0.47) ALDH1A1ATMTP53L3MBTL1NPSR1
SCHEMBL23387623 0.78 ALDH1A1 (0.47) ALDH1A1ATMTP53L3MBTL1NPSR1
SCHEMBL20300544 0.77 ALDH1A1 (0.47) ALDH1A1ATMTP53L3MBTL1NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9145410-B2 Pyrazolopyridines and analogs thereof 3M INNOVATIVE PROPERTIES COMPANY (US) 2015-09-29 US disclosed
US-20120121651-A1 PYRAZOLOPYRIDINES AND ANALOGS THEREOF 3M INNOVATIVE PROPERTIES COMPANY 2012-05-17 US disclosed
US-20090318435-A1 PYRAZOLOPYRIDINES AND ANALOGS THEREOF 3M INNOVATIVE PROPERTIES COMPANY 2009-12-24 US disclosed
US-7544697-B2 Pyrazolopyridines and analogs thereof COLEY PHARMACEUTICAL GROUP, INC. (US) 2009-06-09 US disclosed
US-20090075980-A1 Pyrazolopyridines and Analogs Thereof COLEY PHARMACEUTICAL GROUP, INC. (US) 2009-03-19 US disclosed
US-20060100229-A1 Pyrazolopyridines and analogs thereof 3M INNOVATIVE PROPERTIES COMPANY 2006-05-11 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 (4 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-20090075980-A1 Pyrazolopyridines and Analogs Thereof IL4, IL4I1, IL2 ALDH1A1 1406/4885ATM 1256/4885TP53 35/4885
US-20060100229-A1 Pyrazolopyridines and analogs thereof IL4, IL2, IL4I1 ALDH1A1 1688/4885ATM 745/4885TP53 46/4885
US-20120121651-A1 PYRAZOLOPYRIDINES AND ANALOGS THEREOF IL4, IL4I1, IL2 ALDH1A1 1406/4885ATM 1256/4885TP53 35/4885
US-20090318435-A1 PYRAZOLOPYRIDINES AND ANALOGS THEREOF IL4, IL2, IL4I1 ALDH1A1 1688/4885ATM 745/4885TP53 46/4885

“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.