SCHEMBL661997

SCHEMBL661997

CC(C)(C)c1ccc(S(=O)(=O)NNC(=O)C2CCCN(CC(=O)c3cccs3)C2)cc1

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.49
NPY5R Q15761 3/20 0.40
HTT P42858 1/20 0.40
CYP2D6 P10635 1/20 0.40
GAA P10253 3/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
EPHX2 P34913 1/20 0.38
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 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
SCHEMBL287364 0.89 ALDH1A1 (0.51) ALDH1A1NPY5RCYP2D6GAAL3MBTL1
SCHEMBL287351 0.84 ALDH1A1 (0.51) ALDH1A1HTTCYP2D6GAAL3MBTL1
SCHEMBL297907 0.77 ALDH1A1 (0.45) ALDH1A1HTTGAAKDM4EMEN1
SCHEMBL660456 0.75 ALDH1A1 (0.55) ALDH1A1HTTCYP2D6L3MBTL1KDM4E
SCHEMBL286776 0.71 ALDH1A1 (0.44) ALDH1A1HTTGAAMEN1KMT2A
SCHEMBL287681 0.71 ALDH1A1 (0.55) ALDH1A1HTTCYP2D6GAAKDM4E
SCHEMBL287258 0.71 ALDH1A1 (0.52) ALDH1A1HTTMEN1KMT2A
SCHEMBL660676 0.69 KMT2A (0.38) ALDH1A1GAAKDM4EMEN1KMT2A
SCHEMBL27854960 0.69 ALDH1A1 (0.47) ALDH1A1CYP2D6GAAKDM4EMEN1
SCHEMBL287774 0.67 USP30 (0.36) ALDH1A1NPY5RHTT

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-20120046317-A1 NOVEL HETEROCYCLIC COMPOUNDS DUTT CHAITANYA (IN) 2012-02-23 US claimed
US-20120046317-A1 NOVEL HETEROCYCLIC COMPOUNDS DUTT CHAITANYA (IN) 2012-02-23 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-20120046317-A1 NOVEL HETEROCYCLIC COMPOUNDS AGER, REN, AGT ALDH1A1 676/4885NPY5R 978/4885HTT 75/4885

“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.