SCHEMBL3489458

SCHEMBL3489458

CC(=O)Nc1c(-c2ccc(S(C)(=O)=O)cc2)cccc1[N+](=O)[O-]

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.51
LMNA P02545 2/20 0.51
GAA P10253 1/20 0.51
ALDH3A1 P30838 1/20 0.47
ADAMTS4 O75173 1/20 0.45
PTGS2 P35354 6/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
PKM P14618 1/20 0.43
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
POLB P06746 1/20 0.42
JAK2 O60674 1/20 0.42
JAK3 P52333 1/20 0.42
PTK2 Q05397 1/20 0.42
THRB P10828 1/20 0.41
PIK3CD O00329 1/20 0.41
PIK3CA P42336 1/20 0.41
PIK3CB P42338 1/20 0.41
PIK3CG P48736 1/20 0.41
ERN1 O75460 1/20 0.41

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
SCHEMBL1253176 0.85 ALDH1A1 (0.56) MAPTLMNAADAMTS4L3MBTL1PKM
SCHEMBL3490759 0.82 HSP90AA1 (0.50) MAPTLMNAGAAL3MBTL1KMT2A
SCHEMBL15365393 0.82 MEN1 (0.47) MAPTLMNAGAAL3MBTL1PKM
SCHEMBL9185883 0.79 KMT2A (0.56) MAPTLMNAL3MBTL1PKMKMT2A
SCHEMBL9311171 0.77 ALDH1A1 (0.65) ADAMTS4PTGS2ERN1ALDH1A1
SCHEMBL3491095 0.77 MAPK1 (0.49) MAPTLMNAL3MBTL1PKMKMT2A
SCHEMBL13403198 0.75 PTGS2 (0.51) ADAMTS4PTGS2JAK2ERN1ALDH1A1
SCHEMBL3489465 0.75 NPC1 (0.52) MAPTLMNAKMT2AMEN1ALDH1A1
SCHEMBL505372 0.75 KCNMA1 (0.51) LMNAGAAL3MBTL1PKMKMT2A
SCHEMBL5110430 0.74 TSHR (0.59) MAPTLMNAGAAL3MBTL1KMT2A

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-20100093748-A1 SUBSTITUTED PIPERIDINES HAVING PROTEIN KINASE INHIBITING ACTIVITY ASTEX THERAPEUTICS LIMITED (GB) 2010-04-15 US disclosed
US-20100093748-A1 SUBSTITUTED PIPERIDINES HAVING PROTEIN KINASE INHIBITING ACTIVITY ASTEX THERAPEUTICS LIMITED (GB) 2010-04-15 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 (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-20100093748-A1 SUBSTITUTED PIPERIDINES HAVING PROTEIN KINASE INHIBITING ACTIVITY PRKAR2B, GRK3, PRKAR2A MAPT 3625/4885LMNA 1923/4885GAA 4684/4885

“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.