SCHEMBL17849018

SCHEMBL17849018

CC(=O)N(c1ccc(C(=O)O)c(O)c1)[C@H](C(=O)NCC(=O)O)C(C)C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 11/20 0.39
BCL2L1 Q07817 5/20 0.38
EGLN1 Q9GZT9 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
ALDH1A1 P00352 3/20 0.34
KDM4E B2RXH2 1/20 0.34
POLB P06746 1/20 0.34
GAA P10253 1/20 0.34
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
TSHR P16473 1/20 0.34
CA7 P43166 1/20 0.34
CA9 Q16790 1/20 0.34
CA14 Q9ULX7 1/20 0.34
ECE1 P42892 1/20 0.33
LMNA P02545 1/20 0.33

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
SCHEMBL17849016 1.00 MCL1 (0.39) MCL1BCL2L1EGLN1MEN1KMT2A
SCHEMBL17848978 0.91 ALDH1A1 (0.35) EGLN1MEN1KMT2ASMN1; SMN2L3MBTL1
SCHEMBL17848976 0.91 ALDH1A1 (0.35) EGLN1MEN1KMT2ASMN1; SMN2L3MBTL1
SCHEMBL17849024 0.83 ALDH1A1 (0.38) MEN1KMT2AALDH1A1ECE1LMNA
SCHEMBL17849025 0.83 ALDH1A1 (0.38) MEN1KMT2AALDH1A1ECE1LMNA
SCHEMBL17860525 0.82 MAPT (0.37) MCL1EGLN1MEN1KMT2AALDH1A1
SCHEMBL17848960 0.81 MME (0.37) ALDH1A1TSHRECE1LMNAMAPT
SCHEMBL17848959 0.81 MME (0.37) ALDH1A1TSHRECE1LMNAMAPT
SCHEMBL17848982 0.81 CA12 (0.43) KMT2ASMN1; SMN2ALDH1A1KDM4ECA12
SCHEMBL17848986 0.81 CA12 (0.43) KMT2ASMN1; SMN2ALDH1A1KDM4ECA12

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 MCL1 4378/4885BCL2L1 3104/4885EGLN1 567/4885

“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.