SCHEMBL13629552

SCHEMBL13629552

CCc1ccc(NS(=O)(=O)c2ccc(OC)cc2)cc1C

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 4/20 0.74
CYP19A1 P11511 1/20 0.62
ALDH1A1 P00352 5/20 0.59
MAPT P10636 2/20 0.59
MEN1 O00255 1/20 0.59
KMT2A Q03164 1/20 0.59
FFAR4 Q5NUL3 5/20 0.58
GAA P10253 2/20 0.58
MAPK1 P28482 2/20 0.58
LMNA P02545 2/20 0.58
SMN1; SMN2 Q16637 2/20 0.58
GFER P55789 1/20 0.58
GABRG2 P18507 1/20 0.57
GABRB3 P28472 1/20 0.57
GABRA3 P34903 1/20 0.57
HPGD P15428 1/20 0.55
BRD4 O60885 1/20 0.55
PGR P06401 1/20 0.55
CYTH2 Q99418 1/20 0.55
ESR1 P03372 1/20 0.54

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
SCHEMBL16325591 0.85 PKM (1.00) PKMCYP19A1ALDH1A1MAPTMEN1
SCHEMBL13629414 0.85 MAPT (0.55) PKMCYP19A1ALDH1A1MAPTMEN1
SCHEMBL13629345 0.85 PGR (0.61) PKMALDH1A1MEN1KMT2AFFAR4
SCHEMBL13629400 0.85 CYP19A1 (0.61) PKMCYP19A1ALDH1A1MAPTMEN1
SCHEMBL13629423 0.83 CES1 (0.60) PKMCYP19A1ALDH1A1MAPTFFAR4
SCHEMBL14602130 0.83 PKM (0.78) PKMCYP19A1ALDH1A1MAPTMEN1
SCHEMBL13629464 0.82 ALDH1A1 (0.77) ALDH1A1MEN1KMT2ALMNASMN1; SMN2
SCHEMBL790294 0.80 GAA (0.86) PKMCYP19A1ALDH1A1MAPTMEN1
SCHEMBL8752431 0.80 UCHL1 (0.71) PKMCYP19A1ALDH1A1MAPTMEN1
SCHEMBL6928661 0.80 UCHL1 (0.71) PKMCYP19A1ALDH1A1MAPTMEN1

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-20090275593-A1 3 Substituted N-(aryl- or heteroaryl)-pyrazolo[1,5-a]pyrimidines as Kinase Inhibitors NOVARTIS AG 2009-11-05 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-20090275593-A1 3 Substituted N-(aryl- or heteroaryl)-pyrazolo[1,5-a]pyrimidines as Kinase Inhibitors TIE1, TEK, MATK PKM 446/4885CYP19A1 3220/4885ALDH1A1 2121/4885

“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.