SCHEMBL17848995

SCHEMBL17848995

CC(C)[C@H](NCc1ccccc1)C(=O)NCC(=O)OC(C)(C)C

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MEP1B Q16820 2/20 0.47
CTSD P07339 2/20 0.46
ALDH1A1 P00352 1/20 0.45
BACE1 P56817 5/20 0.44
ADAM17 P78536 1/20 0.44
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA7 P43166 1/20 0.44
CA14 Q9ULX7 1/20 0.44
ATM Q13315 1/20 0.43
PPID Q08752 1/20 0.43

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
SCHEMBL7309512 0.84 CA12 (0.50) MEP1BCTSDBACE1CA12CA1
SCHEMBL30074495 0.83 ITGB3 (0.55) MEP1BCTSDALDH1A1
SCHEMBL30074490 0.83 ITGB3 (0.55) MEP1BCTSDALDH1A1
SCHEMBL6662122 0.81 KMT2A (0.54) ALDH1A1ADAM17
SCHEMBL6662119 0.81 KMT2A (0.54) ALDH1A1ADAM17
SCHEMBL4750042 0.79 CTSS (0.61) BACE1
SCHEMBL8849130 0.79 ITGA4 (0.52) ALDH1A1CA12CA1CA7CA14
SCHEMBL5394016 0.78 CA12 (0.46) ALDH1A1CA12CA1CA7CA14
SCHEMBL30074494 0.78 ITGB3 (0.51) MEP1BCTSDALDH1A1
SCHEMBL5394620 0.78 SIGMAR1 (0.50) ALDH1A1CA12CA1CA7CA14

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 5 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-10098827-B2 Compounds in the family of N-acylamino-amides, compositions comprising them, and uses L'OREAL (FR) 2018-10-16 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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 MEP1B 2030/4885CTSD 3036/4885ALDH1A1 736/4885
US-10098827-B2 Compounds in the family of N-acylamino-amides, compositions comprising them, and uses CRY1, H1-0, C1R MEP1B 2031/4885CTSD 3245/4885ALDH1A1 636/4885

“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.