SCHEMBL5528693

SCHEMBL5528693

CC(C)(C)c1nc(CC(=O)N2CCCCC2)c(C(=O)O)s1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.41
ALDH1A1 P00352 8/20 0.38
MEN1 O00255 1/20 0.38
TSHR P16473 1/20 0.38
HTT P42858 1/20 0.38
KMT2A Q03164 1/20 0.38
HPGD P15428 5/20 0.36
PTGS2 P35354 2/20 0.36
LMNA P02545 2/20 0.35
NPC1 O15118 2/20 0.35
KDM4E B2RXH2 1/20 0.34
MAPT P10636 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
PIK3CD O00329 2/20 0.33
PIK3CB P42338 2/20 0.33
HDAC4 P56524 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
ATM Q13315 1/20 0.33
YEATS4 O95619 1/20 0.33

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
SCHEMBL5527791 0.96 SMN1; SMN2 (0.36) SMN1; SMN2ALDH1A1MEN1TSHRHTT
SCHEMBL5520342 0.88 MAPT (0.39) SMN1; SMN2ALDH1A1TSHRHPGDPTGS2
SCHEMBL5527786 0.87 PIK3CD (0.43) SMN1; SMN2PTGS2NPC1MAPTPIK3CD
SCHEMBL5524876 0.86 L3MBTL1 (0.38) ALDH1A1MEN1TSHRHTTKMT2A
SCHEMBL5525930 0.85 DPP4 (0.38) SMN1; SMN2ALDH1A1MEN1TSHRHTT
SCHEMBL5527822 0.85 DTYMK (0.42) SMN1; SMN2ALDH1A1
SCHEMBL5525943 0.81 L3MBTL1 (0.36) ALDH1A1HPGDLMNAL3MBTL1PIK3CD
SCHEMBL5552970 0.80 SMN1; SMN2 (0.45) SMN1; SMN2ALDH1A1MEN1TSHRHTT
SCHEMBL5528666 0.79 KCNA3 (0.41) MEN1KMT2AL3MBTL1
SCHEMBL5527764 0.76 EPHX2 (0.40) SMN1; SMN2ALDH1A1MEN1TSHRHTT

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 2042/4885MEN1 4532/4885

“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.