SCHEMBL13054891

SCHEMBL13054891

COc1ccc(S(=O)(=O)N2CCC(CN3C(=O)NC(c4ccccc4)(c4ccccc4)C3=O)CC2)cc1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.56
ALDH1A1 P00352 3/20 0.56
GAA P10253 1/20 0.56
HPGD P15428 1/20 0.56
CCR6 P51684 1/20 0.51
MEN1 O00255 4/20 0.49
HSD11B1 P28845 1/20 0.48
MAPT P10636 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
LMNA P02545 1/20 0.47
PKM P14618 2/20 0.47
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
PKLR P30613 1/20 0.47
POLB P06746 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.46

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
SCHEMBL7573407 0.91 ALDH1A1 (0.54) KMT2AALDH1A1GAAHPGDCCR6
SCHEMBL7559714 0.81 CHRM5 (0.46) KMT2AALDH1A1GAAHPGDMEN1
SCHEMBL7605168 0.80 ALDH1A1 (0.44) KMT2AALDH1A1GAAHPGDMEN1
SCHEMBL7560551 0.79 KMT2A (0.49) KMT2AALDH1A1GAAHPGDMEN1
SCHEMBL7565684 0.78 MCOLN3 (0.47) KMT2AALDH1A1GAAHPGDMEN1
SCHEMBL4439040 0.77 MCOLN3 (0.49) KMT2AALDH1A1GAAHPGDMEN1
SCHEMBL7581593 0.74 SIGMAR1 (0.42) POLB
SCHEMBL7548283 0.74 SIGMAR1 (0.42) ALDH1A1POLBL3MBTL1
SCHEMBL7530370 0.73 ALDH1A1 (0.51) KMT2AALDH1A1GAAHPGDCCR6
SCHEMBL7557129 0.72 CYP19A1 (0.41) KMT2AALDH1A1GAAHPGDMEN1

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-20100292203-A1 HETEROCYCLIC ASPARTYL PROTEASE INHIBITORS SCHERING CORPORATION 2010-11-18 US disclosed
US-20100292203-A1 HETEROCYCLIC ASPARTYL PROTEASE INHIBITORS SCHERING CORPORATION 2010-11-18 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-20100292203-A1 HETEROCYCLIC ASPARTYL PROTEASE INHIBITORS CHRM1, CHRM2, PRSS1 KMT2A 4458/4885ALDH1A1 4505/4885GAA 1474/4885

“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.