SCHEMBL13629403

SCHEMBL13629403

CCc1ccc(NS(=O)(=O)c2ccc(Cl)cc2)cc1F

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES1 P23141 1/20 0.58
CYP19A1 P11511 1/20 0.56
ALDH1A1 P00352 4/20 0.52
MAPT P10636 2/20 0.52
MEN1 O00255 2/20 0.52
LMNA P02545 2/20 0.52
KMT2A Q03164 2/20 0.52
THRB P10828 1/20 0.52
HTT P42858 1/20 0.52
TDP1 Q9NUW8 1/20 0.51
FFAR1 O14842 1/20 0.51
FFAR4 Q5NUL3 1/20 0.51
KIT P10721 2/20 0.50
ATIC P31939 1/20 0.50
GAA P10253 1/20 0.50
PKM P14618 1/20 0.49
TSHR P16473 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
ESR1 P03372 1/20 0.49
HSD17B3 P37058 1/20 0.48

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
SCHEMBL13629298 0.89 MEN1 (0.49) ALDH1A1MAPTMEN1LMNAKMT2A
SCHEMBL13629418 0.85 PKM (0.61) ALDH1A1MAPTLMNATDP1KIT
SCHEMBL13629423 0.84 CES1 (0.60) CES1CYP19A1ALDH1A1MAPTTDP1
SCHEMBL13629400 0.83 CYP19A1 (0.61) CYP19A1ALDH1A1MAPTMEN1LMNA
SCHEMBL13629417 0.83 KMT2A (0.52) MAPTMEN1LMNAKMT2AFFAR1
SCHEMBL13629411 0.82 PPARG (0.55) ALDH1A1MAPTMEN1LMNAKMT2A
SCHEMBL13629296 0.82 ALDH1A1 (0.57) ALDH1A1MAPTMEN1LMNAKMT2A
SCHEMBL13629427 0.79 ALDH1A1 (0.54) ALDH1A1MAPTMEN1LMNAKMT2A
SCHEMBL13615120 0.79 CES1 (0.57) CES1CYP19A1ALDH1A1MAPTMEN1
SCHEMBL13629338 0.78 SLC22A12 (0.53) ALDH1A1MEN1LMNAKMT2AGAA

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 2 patents. 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
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 (2 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 CES1 3083/4885CYP19A1 3011/4885ALDH1A1 2057/4885
US-20090275593-A1 3 Substituted N-(aryl- or heteroaryl)-pyrazolo[1,5-a]pyrimidines as Kinase Inhibitors TIE1, TEK, MATK CES1 3173/4885CYP19A1 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.