SCHEMBL6789098

SCHEMBL6789098

CC1(C)CC(NC(=O)C(=O)Nc2ccccc2)C(O)C(C)(C)N1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.43
KMT2A Q03164 2/20 0.42
ALDH1A1 P00352 2/20 0.42
MEN1 O00255 1/20 0.42
LMNA P02545 1/20 0.42
MAPT P10636 1/20 0.42
PKM P14618 1/20 0.42
ALOX15 P16050 1/20 0.42
ALOX12 P18054 1/20 0.42
RAD52 P43351 1/20 0.42
GFER P55789 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
POLB P06746 1/20 0.41
EZH2 Q15910 3/20 0.40
HTT P42858 1/20 0.40
KDM4E B2RXH2 1/20 0.39
HDAC3 O15379 1/20 0.38
HDAC4 P56524 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC7 Q8WUI4 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
SCHEMBL2289255 0.81 GAA (0.62) GAAKMT2AALDH1A1MEN1LMNA
SCHEMBL19414235 0.76 GAA (0.54) GAAKMT2AALDH1A1MEN1LMNA
SCHEMBL21412086 0.73 CPB1 (0.49) GAAKMT2AALDH1A1MEN1LMNA
SCHEMBL19414233 0.72 GAA (0.49) GAAKMT2AALDH1A1MEN1LMNA
SCHEMBL10525359 0.71 POLB (0.59) GAAKMT2AALDH1A1MEN1LMNA
SCHEMBL15634154 0.70 HPGD (0.54) GAAKMT2AALDH1A1MEN1LMNA
SCHEMBL29196492 0.69 POLB (0.61) GAAKMT2AALDH1A1MEN1LMNA
SCHEMBL1287360 0.68 ALDH1A1 (0.51) GAAKMT2AALDH1A1MEN1LMNA
SCHEMBL6790228 0.68 ALDH1A1 (0.51) GAAKMT2AALDH1A1MEN1LMNA
SCHEMBL1287379 0.68 MEN1 (0.52) GAAKMT2AALDH1A1MEN1LMNA

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-9776963-B2 Small molecule CD4 mimetics and uses thereof THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2017-10-03 US disclosed
US-20120122834-A1 SMALL MOLECULE CD4 MIMETICS AND USES THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2012-05-17 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-20120122834-A1 SMALL MOLECULE CD4 MIMETICS AND USES THEREOF CD4, CCR1, RORC GAA 4351/4885KMT2A 2177/4885ALDH1A1 3557/4885

“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.