SCHEMBL6799441

SCHEMBL6799441

O=C(CCC1CCCCC1)N[C@@H](CCc1ccccc1)C(=O)c1oc(-c2ccccc2)nc1-c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
ALDH1A1 P00352 4/20 0.41
TDP1 Q9NUW8 1/20 0.41
HTT P42858 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
RAB9A P51151 5/20 0.40
EPHX2 P34913 1/20 0.40
BMP1 P13497 1/20 0.40
MAPT P10636 1/20 0.39
NPC1 O15118 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
CTSK P43235 2/20 0.38
MMP2 P08253 3/20 0.38
MMP3 P08254 2/20 0.38
MMP1 P03956 1/20 0.38
AVPR1B P47901 1/20 0.37
MMP10 P09238 1/20 0.37
MMP8 P22894 1/20 0.37
MMP12 P39900 1/20 0.37

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
SCHEMBL6799439 0.85 MAPT (0.39) ALDH1A1HTTRAB9AEPHX2MAPT
SCHEMBL7238076 0.85 MMP2 (0.44) MAPTCTSKMMP2MMP3MMP1
SCHEMBL6800302 0.83 CTSL (0.41) ALDH1A1MAPTCTSKCTSLCTSB
SCHEMBL6807155 0.83 CTSL (0.42) ALDH1A1MAPTCTSKCTSLCTSB
SCHEMBL6463419 0.79 CTSS (0.48) MEN1KMT2ARAB9AEPHX2CTSK
SCHEMBL6465141 0.79 CTSS (0.48) MEN1KMT2ARAB9AEPHX2CTSK
SCHEMBL7048644 0.79 FAAH (0.47) MEN1KMT2AALDH1A1TDP1CTSK
SCHEMBL6468629 0.79 CTSS (0.48) MEN1KMT2ARAB9AEPHX2CTSK
SCHEMBL6918536 0.78 BMP1 (0.40) MEN1KMT2AALDH1A1BMP1CTSK
SCHEMBL6463758 0.78 CNR1 (0.51) MEN1KMT2ARAB9ANPC1SMN1; SMN2

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-6730671-B2 ENZYME INHIBITOR TREATING AUTOIMMUNE DISEASES, ALZHEIMER'S DISEASE, ATHEROSCLEROSIS BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2004-05-04 US disclosed
US-20030158406-A1 Compounds useful as reversible inhibitors of cathepsin S BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2003-08-21 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-20030158406-A1 Compounds useful as reversible inhibitors of cathepsin S CTSS, CTSB, CTSV MEN1 2882/4885KMT2A 4408/4885ALDH1A1 1591/4885

“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.