SCHEMBL13853017

SCHEMBL13853017

CCc1ccc(NS(=O)(=O)c2ccccc2Cl)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.68
PGR P06401 1/20 0.60
HDAC3 O15379 1/20 0.56
HDAC4 P56524 1/20 0.56
HDAC1 Q13547 1/20 0.56
HDAC7 Q8WUI4 1/20 0.56
HDAC2 Q92769 1/20 0.56
HDAC10 Q969S8 1/20 0.56
HDAC11 Q96DB2 1/20 0.56
HDAC8 Q9BY41 1/20 0.56
HDAC6 Q9UBN7 1/20 0.56
HDAC9 Q9UKV0 1/20 0.56
HDAC5 Q9UQL6 1/20 0.56
TP53 P04637 1/20 0.56
UCHL1 P09936 1/20 0.54
SLC22A12 Q96S37 2/20 0.52
LMNA P02545 2/20 0.52
MAPT P10636 2/20 0.52
POLB P06746 1/20 0.51
HPGD P15428 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
SCHEMBL13629279 0.88 PGR (0.60) ALDH1A1PGRTP53UCHL1LMNA
SCHEMBL10456537 0.82 PGR (0.65) ALDH1A1PGRHDAC3HDAC4HDAC1
SCHEMBL28747153 0.82 ALDH1A1 (0.53) ALDH1A1PGRTP53LMNAMAPT
SCHEMBL13853039 0.82 SLC22A12 (0.64) ALDH1A1PGRHDAC3HDAC4HDAC1
SCHEMBL3769126 0.81 PGR (0.73) ALDH1A1PGRHDAC3HDAC4HDAC1
SCHEMBL27761877 0.81 ALDH1A1 (0.63) ALDH1A1PGRHDAC3HDAC4HDAC1
SCHEMBL13629320 0.80 SLC22A12 (0.54) ALDH1A1PGRHDAC3HDAC4HDAC1
SCHEMBL13852828 0.79 PGR (0.61) ALDH1A1PGRHDAC3HDAC4HDAC1
SCHEMBL96292 0.79 PGR (0.65) ALDH1A1PGRHDAC3HDAC4HDAC1
SCHEMBL29118833 0.79 PGR (0.65) ALDH1A1PGRHDAC3HDAC4HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090118277-A1 3 Unsubstituted N-(aryl- or heteroaryl)-pyrazolo[1,5-a]pyrimidines as Kinase Inhibitors NOVARTIS AG 2009-05-07 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 (1 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-20090118277-A1 3 Unsubstituted N-(aryl- or heteroaryl)-pyrazolo[1,5-a]pyrimidines as Kinase Inhibitors TIE1, TEK, MATK ALDH1A1 2057/4885PGR 1506/4885HDAC3 2201/4885

“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.