SCHEMBL3599736

SCHEMBL3599736

COc1cc(C(=O)c2c(C)c(C(=O)O)c3ccccn23)ccc1NS(C)(=O)=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.44
KMT2A Q03164 6/20 0.44
MEN1 O00255 5/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
HPGD P15428 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
NPC1 O15118 2/20 0.43
GAA P10253 2/20 0.43
ATM Q13315 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43
HTT P42858 3/20 0.43
MAPT P10636 4/20 0.41
LMNA P02545 4/20 0.41
KDM4E B2RXH2 2/20 0.41
RAD52 P43351 1/20 0.39
MAPK1 P28482 2/20 0.38
NR3C1 P04150 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38

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
SCHEMBL3593263 0.89 MAPT (0.43) ALDH1A1KMT2AMEN1SMN1; SMN2HPGD
SCHEMBL3610782 0.88 NPC1 (0.44) ALDH1A1KMT2AMEN1SMN1; SMN2NPC1
SCHEMBL2515131 0.82 ALDH1A1 (0.45) ALDH1A1KMT2AMEN1HPGDNPSR1
SCHEMBL3599610 0.78 ALDH1A1 (0.52) ALDH1A1KMT2AMEN1SMN1; SMN2HPGD
SCHEMBL6217961 0.77 NPC1 (0.46) ALDH1A1KMT2AMEN1SMN1; SMN2HPGD
SCHEMBL6218548 0.77 MEN1 (0.56) ALDH1A1KMT2AMEN1SMN1; SMN2HPGD
SCHEMBL142911 0.75 HTT (0.59) ALDH1A1KMT2AMEN1SMN1; SMN2HPGD
Hydrochloric Acid SCHEMBL3611393 0.75 NPC1 (0.46) ALDH1A1KMT2AMEN1SMN1; SMN2NPC1
SCHEMBL3597150 0.75 ALDH1A1 (0.51) ALDH1A1KMT2AMEN1SMN1; SMN2NPC1
SCHEMBL3606724 0.74 NPC1 (0.46) ALDH1A1KMT2AMEN1SMN1; SMN2HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7803811-B2 1,2,3-substituted indolizine derivatives, inhibitors of FGFs, method for preparing them and pharmaceutical compositions containing them SANOFI-AVENTIS (FR) 2010-09-28 US disclosed
US-20090023770-A1 Novel 1,2,3-Substituted Indolizine Derivatives, Inhibitors of FGFs, Method for Preparing Them and Pharmaceutical Compositions Containing Them SANOFI-AVENTIS (FR) 2009-01-22 US disclosed
US-7442708-B2 1,2,3-substituted indolizine derivatives, inhibitors of fgfs, method for making same and pharmaceutical compositions containing same SANOFI-AVENTIS (FR) 2008-10-28 US disclosed
US-20050203126-A1 Novel 1,2,3-substituted indolizine derivatives, inhibitors of fgfs, method for making same and pharmaceutical compositions containing same SANOFI (FR) 2005-09-15 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-20050203126-A1 Novel 1,2,3-substituted indolizine derivatives, inhibitors of fgfs, method for making same and pharmaceutical compositions containing same FGFR3, FGFR1, NTRK3 ALDH1A1 1784/4885KMT2A 4249/4885MEN1 1974/4885
US-20090023770-A1 Novel 1,2,3-Substituted Indolizine Derivatives, Inhibitors of FGFs, Method for Preparing Them and Pharmaceutical Compositions Containing Them FGF2, FGF1, FGFR1 ALDH1A1 1502/4885KMT2A 3830/4885MEN1 1481/4885

“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.