Sugi Predict

Sugi Predict / Compounds / SCHEMBL17848982

SCHEMBL17848982

SCHEMBL17848982

CCOC(=O)c1cc(N(C(C)=O)C(C(=O)NCC(=O)O)C(C)C)ccc1O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ 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
▸ KMT2A Q03164 2/20 0.39
▸ EGFR P00533 2/20 0.38
▸ ALDH1A1 P00352 5/20 0.34
▸ HPGD P15428 3/20 0.34
▸ TSHR P16473 3/20 0.34
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ TP53 P04637 1/20 0.34
▸ THRB P10828 1/20 0.34
▸ KDR P35968 1/20 0.34
▸ KDM4E B2RXH2 4/20 0.33
▸ RRM1 P23921 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ HSD17B10 Q99714 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
SCHEMBL17848986 1.00 CA12 (0.43) CA12CA1CA2CA7CA9
SCHEMBL17860524 0.92 CA12 (0.43) CA12CA1CA2CA7CA9
SCHEMBL17860576 0.84 CA12 (0.43) CA12CA1CA2CA7CA9
SCHEMBL17860573 0.83 ALDH1A1 (0.38) CA12CA1CA2CA7CA9
SCHEMBL17849016 0.81 MCL1 (0.39) CA12CA1CA2CA7CA9
SCHEMBL17849018 0.81 MCL1 (0.39) CA12CA1CA2CA7CA9
SCHEMBL17848976 0.80 ALDH1A1 (0.35) KMT2AALDH1A1HPGDSMN1; SMN2KDM4E
SCHEMBL17848978 0.80 ALDH1A1 (0.35) KMT2AALDH1A1HPGDSMN1; SMN2KDM4E
SCHEMBL17849025 0.78 ALDH1A1 (0.38) KMT2AALDH1A1HPGDMAPK1TDP1
SCHEMBL17849024 0.78 ALDH1A1 (0.38) KMT2AALDH1A1HPGDMAPK1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107001412-B Compounds of the N-acylamino-amide family, compositions containing them and uses 莱雅公司 2021-03-12 — — CN disclosed
EP-3233886-B1 COMPOUNDS IN THE FAMILY OF N-ACYLAMINO-AMIDES, COMPOSITIONS COMPRISING THEM, AND USES OREAL (FR) 2020-02-26 — — EP disclosed
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
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
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 CA12 1696/4885CA1 2025/4885CA2 523/4885

“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.