SCHEMBL5552970

SCHEMBL5552970

CCc1nc(CC(=O)N2CCCCC2)c(C(=O)O)s1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.45
ALDH1A1 P00352 6/20 0.41
TSHR P16473 3/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
HTT P42858 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.37
MAPT P10636 1/20 0.37
HPGD P15428 5/20 0.36
PTGS2 P35354 2/20 0.36
TDP1 Q9NUW8 1/20 0.36
NPC1 O15118 1/20 0.35
GAA P10253 1/20 0.35
TP53 P04637 1/20 0.34
ATM Q13315 1/20 0.34
HRH3 Q9Y5N1 1/20 0.34
PKM P14618 1/20 0.34
PIK3CD O00329 1/20 0.34
PIK3CB P42338 1/20 0.34

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
SCHEMBL5558508 0.96 SMN1; SMN2 (0.40) SMN1; SMN2ALDH1A1TSHRMEN1KMT2A
SCHEMBL5551871 0.88 MAPT (0.40) SMN1; SMN2ALDH1A1TSHRMEN1KMT2A
SCHEMBL10266176 0.87 PIK3CD (0.43) KMT2AMAPTPTGS2PIK3CDPIK3CB
SCHEMBL5556178 0.86 L3MBTL1 (0.39) SMN1; SMN2ALDH1A1TSHRMEN1KMT2A
SCHEMBL5556851 0.82 DTYMK (0.38) SMN1; SMN2ALDH1A1L3MBTL1
SCHEMBL10265374 0.80 KDM1A (0.38) ALDH1A1L3MBTL1GAAPIK3CDPIK3CB
SCHEMBL5528693 0.80 SMN1; SMN2 (0.41) SMN1; SMN2ALDH1A1TSHRMEN1KMT2A
SCHEMBL5527791 0.76 SMN1; SMN2 (0.36) SMN1; SMN2ALDH1A1TSHRMEN1KMT2A
SCHEMBL9642917 0.76 RAB9A (0.40) SMN1; SMN2ALDH1A1TSHRMEN1KMT2A
SCHEMBL5553132 0.75 KMT2A (0.48) SMN1; SMN2ALDH1A1TSHRMEN1KMT2A

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-20120108565-A1 PYRROLE CARBOXYLIC ACID DERIVATIVES AS ANTIBACTERIAL AGENTS RANBAXY LABORATORIES LIMITED (IN) 2012-05-03 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-20120108565-A1 PYRROLE CARBOXYLIC ACID DERIVATIVES AS ANTIBACTERIAL AGENTS POLI, POLB, POLA1 SMN1; SMN2 4646/4885ALDH1A1 2042/4885TSHR 3395/4885

“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.