SCHEMBL16964255

SCHEMBL16964255

NC(=O)CC(O)C(=O)NCc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.55
RAB9A P51151 1/20 0.55
MMP8 P22894 3/20 0.51
KMT2A Q03164 1/20 0.50
CYP2D6 P10635 2/20 0.49
CYP1A2 P05177 1/20 0.49
CYP2C9 P11712 1/20 0.49
TSHR P16473 1/20 0.49
CYP2C19 P33261 1/20 0.49
EGFR P00533 1/20 0.48
PSMB1 P20618 1/20 0.47
MME P08473 1/20 0.47
GAA P10253 1/20 0.46
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA3 P07451 1/20 0.46
CA4 P22748 1/20 0.46
CA6 P23280 1/20 0.46
CA5A P35218 1/20 0.46

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
SCHEMBL16964928 0.91 BACE1 (0.52) ALDH1A1RAB9AMMP8KMT2APSMB1
SCHEMBL9617186 0.86 MMP8 (0.53) ALDH1A1MMP8KMT2ACYP2D6EGFR
SCHEMBL16963757 0.84 HPGD (0.53) ALDH1A1RAB9AKMT2ATSHRGAA
SCHEMBL16965172 0.84 POLB (0.52) MMP8KMT2ACYP2D6CYP2C9TSHR
SCHEMBL16964222 0.84 TGM2 (0.47) ALDH1A1RAB9AMMP8KMT2ACYP2C9
SCHEMBL24096234 0.84 POLB (0.52) MMP8KMT2ACYP2D6CYP2C9TSHR
SCHEMBL8549363 0.83 ALDH1A1 (0.55) ALDH1A1RAB9AMMP8KMT2ACYP2D6
SCHEMBL26303620 0.83 ALDH1A1 (0.55) ALDH1A1RAB9AMMP8KMT2ACYP2D6
SCHEMBL7524502 0.83 ALDH1A1 (0.55) ALDH1A1RAB9AMMP8KMT2ACYP2D6
SCHEMBL6284583 0.83 CYP2D6 (0.56) ALDH1A1MMP8KMT2ACYP2D6CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9585891-B2 Alpha hydroxy amides MERCK PATENT GMBH (DE) 2017-03-07 US disclosed
US-20150250792-A1 ALPHA HYDROXY AMIDES MERCK PATENT GMBH (DE) 2015-09-10 US disclosed
EP-2900633-A1 ALPHA HYDROXY AMIDES Merck Patent GmbH (DE) 2015-08-05 EP 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-20150250792-A1 ALPHA HYDROXY AMIDES HCAR1, NAA40, HCAR2 ALDH1A1 847/4885RAB9A 4553/4885MMP8 2130/4885

“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.