SCHEMBL17849020

SCHEMBL17849020

CC(=O)N(CC(=O)O)C(=O)C(Nc1ccc(C(=O)O)c(O)c1)C(C)C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.38
PKM P14618 1/20 0.38
ALDH1A1 P00352 4/20 0.36
HSD17B10 Q99714 2/20 0.36
MEN1 O00255 3/20 0.35
TSHR P16473 2/20 0.35
MCL1 Q07820 2/20 0.35
BCL2L1 Q07817 1/20 0.35
USP2 O75604 1/20 0.35
HPGD P15428 1/20 0.35
POLB P06746 2/20 0.35
SIRT5 Q9NXA8 2/20 0.34
KDM4E B2RXH2 2/20 0.34
RAB9A P51151 2/20 0.34
STAT3 P40763 1/20 0.34
CTDSP1 Q9GZU7 1/20 0.34
NPC1 O15118 1/20 0.34
PDK2 Q15119 1/20 0.34
PDK4 Q16654 1/20 0.34
CA12 O43570 1/20 0.34

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
SCHEMBL17848980 0.91 ALDH1A1 (0.35) ALDH1A1NPC1GAA
SCHEMBL17849026 0.83 MAPT (0.36) KMT2AALDH1A1MEN1TSHRHPGD
SCHEMBL17848962 0.81 ALDH1A1 (0.41) KMT2AALDH1A1HSD17B10MEN1TSHR
SCHEMBL17848988 0.81 KMT2A (0.46) KMT2APKMALDH1A1KDM4ECA12
SCHEMBL17848983 0.80 MEN1 (0.35) KMT2APKMALDH1A1HSD17B10MEN1
Methyl Alcohol SCHEMBL17848974 0.79 MEN1 (0.35) KMT2APKMALDH1A1HSD17B10MEN1
SCHEMBL1170580 0.75 CTSL (0.49) KMT2AALDH1A1MEN1POLBKDM4E
SCHEMBL12877225 0.72 KMT2A (0.53) KMT2APKMALDH1A1HSD17B10MEN1
SCHEMBL2745069 0.70 KMT2A (0.50) KMT2APKMALDH1A1HSD17B10MEN1
SCHEMBL24107347 0.66 MCL1 (0.50) KMT2APKMALDH1A1HSD17B10MEN1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3233886-B1 COMPOUNDS IN THE FAMILY OF N-ACYLAMINO-AMIDES, COMPOSITIONS COMPRISING THEM, AND USES OREAL (FR) 2020-02-26 EP disclosed
US-20170360667-A1 NEW COMPOUNDS IN THE FAMILY OF N-ACYLAMINO-AMIDES, COMPOSITIONS COMPRISING THEM, AND USES L'OREAL (FR) 2017-12-21 US disclosed
EP-3233886-A1 COMPOUNDS IN THE FAMILY OF N-ACYLAMINO-AMIDES, COMPOSITIONS COMPRISING THEM, AND USES L'Oréal (FR) 2017-10-25 EP disclosed
WO-2016096804-A1 COMPOUNDS IN THE FAMILY OF N-ACYLAMINO-AMIDES, COMPOSITIONS COMPRISING THEM, AND USES L'OREAL (FR) 2016-06-23 WO 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-20170360667-A1 NEW COMPOUNDS IN THE FAMILY OF N-ACYLAMINO-AMIDES, COMPOSITIONS COMPRISING THEM, AND USES H1-0, CRY1, CCNA1 KMT2A 1630/4885PKM 2730/4885ALDH1A1 736/4885

“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.