SCHEMBL17848988

SCHEMBL17848988

CCOC(=O)c1cc(NC(C(=O)N(CC(=O)O)C(C)=O)C(C)C)ccc1O

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.46
EGFR P00533 9/20 0.44
CA12 O43570 3/20 0.43
CA1 P00915 3/20 0.43
CA2 P00918 3/20 0.43
CA7 P43166 3/20 0.43
CA9 Q16790 3/20 0.43
CA14 Q9ULX7 3/20 0.43
L3MBTL1 Q9Y468 1/20 0.36
HTT P42858 1/20 0.35
KDM4E B2RXH2 1/20 0.35
GAA P10253 1/20 0.35
PKM P14618 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
CDC25B P30305 1/20 0.34
ATM Q13315 1/20 0.34
ALDH1A1 P00352 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
SCHEMBL17849020 0.81 KMT2A (0.38) KMT2ACA12CA1CA2CA7
SCHEMBL17848980 0.80 ALDH1A1 (0.35) GAAALDH1A1
SCHEMBL17849026 0.78 MAPT (0.36) KMT2ACA12CA1CA2CA7
Methyl Alcohol SCHEMBL17848974 0.72 MEN1 (0.35) KMT2AL3MBTL1KDM4EGAAPKM
SCHEMBL1170580 0.70 CTSL (0.49) KMT2ACA12CA1L3MBTL1HTT
SCHEMBL10334067 0.70 KMT2A (0.71) KMT2AEGFRCA12CA1CA2
SCHEMBL11202032 0.69 KMT2A (0.66) KMT2AEGFRCA12CA1CA2
SCHEMBL1977674 0.67 KMT2A (0.71) KMT2AEGFRCA12CA1CA2
SCHEMBL14400343 0.66 EGFR (0.62) KMT2AEGFRCA12CA1CA2
SCHEMBL17848982 0.65 CA12 (0.43) KMT2AEGFRCA12CA1CA2

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 1630/4885EGFR 993/4885CA12 1696/4885

“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.