SCHEMBL6095753

SCHEMBL6095753

CC(C)(C)OC(=O)NCc1c(Br)cccc1C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.47
NPC1 O15118 1/20 0.47
HTT P42858 1/20 0.47
RAB9A P51151 1/20 0.47
KMT2A Q03164 1/20 0.47
KDM4A O75164 1/20 0.42
CTSS P25774 2/20 0.41
CTSK P43235 2/20 0.41
KCNA5 P22460 1/20 0.41
POLB P06746 1/20 0.39
MAPK1 P28482 1/20 0.39
ATM Q13315 1/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA7 P43166 1/20 0.39
CA14 Q9ULX7 1/20 0.39
IDO1 P14902 1/20 0.38
NAMPT P43490 2/20 0.38
AKT1 P31749 1/20 0.38
CTSB P07858 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
SCHEMBL28210982 0.90 KDM4A (0.47) KDM4ACTSSCTSKKCNA5POLB
SCHEMBL28255694 0.85 KCNA5 (0.50) MEN1HTTKMT2AKDM4ACTSS
SCHEMBL21481996 0.83 KDM4A (0.44) MEN1NPC1HTTRAB9AKMT2A
SCHEMBL29473242 0.82 KDM4A (0.43) MEN1NPC1HTTRAB9AKMT2A
SCHEMBL29793807 0.82 POLB (0.53) MEN1NPC1HTTRAB9AKMT2A
SCHEMBL29473241 0.82 KDM4A (0.43) MEN1NPC1HTTRAB9AKMT2A
SCHEMBL6172012 0.81 KCNA5 (0.44) HTTKDM4ACTSSCTSKKCNA5
SCHEMBL31437501 0.78 KDM4A (0.40) MEN1NPC1HTTRAB9AKMT2A
SCHEMBL27803882 0.77 KCNA5 (0.43) MEN1NPC1HTTRAB9AKMT2A
SCHEMBL1808874 0.77 KCNA5 (0.56) MEN1NPC1HTTRAB9AKMT2A

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-7053122-B2 Therapeutic use of aryl amino acid derivatives PFIZER INC (US) 2006-05-30 US disclosed
US-20040138197-A1 Therapeutic use of aryl amino acid derivatives MAW GRAHAM NIGEL (GB) 2004-07-15 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-20040138197-A1 Therapeutic use of aryl amino acid derivatives CNR1, HCRTR1, HTR6 MEN1 3212/4885NPC1 231/4885HTT 156/4885

“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.