SCHEMBL19378016

SCHEMBL19378016

CC(C)(C)OC(=O)C(Cc1ccc(Cl)cc1Cl)[C@@H](N)O

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 3/20 0.45
HDAC8 Q9BY41 8/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
HDAC3 O15379 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
GAA P10253 1/20 0.41
TP53 P04637 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ALDH1A1 P00352 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
KDM4E B2RXH2 1/20 0.40
HTT P42858 1/20 0.40
EPHX1 P07099 1/20 0.40
MC4R P32245 1/20 0.39

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
SCHEMBL19377907 0.88 IDO1 (0.43) IDO1HDAC8CYP3A4CYP2C9HDAC3
SCHEMBL17978110 0.85 HDAC8 (0.50) IDO1HDAC8CYP3A4CYP2C9HDAC3
SCHEMBL17978109 0.85 HDAC8 (0.50) IDO1HDAC8CYP3A4CYP2C9HDAC3
SCHEMBL2685745 0.83 IDO1 (0.47) IDO1HDAC8CYP3A4CYP2C9GAA
SCHEMBL2685750 0.83 IDO1 (0.47) IDO1HDAC8CYP3A4CYP2C9GAA
SCHEMBL1521462 0.81 IDO1 (0.44) IDO1HDAC8CYP3A4CYP2C9HDAC3
SCHEMBL2897783 0.81 IDO1 (0.44) IDO1HDAC8CYP3A4CYP2C9HDAC3
SCHEMBL12194017 0.72 HDAC8 (0.53) HDAC8HDAC3HDAC1HDAC2HDAC6
SCHEMBL2895605 0.72 HDAC8 (0.56) HDAC8HDAC3HDAC1HDAC2HDAC6
SCHEMBL3751401 0.72 HDAC8 (0.56) HDAC8HDAC3HDAC1HDAC2HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10913736-B2 Specific inhibitors of methionyl-tRNA synthetase UNIVERSITY OF WASHINGTON (US) 2021-02-09 US disclosed
US-20170275279-A1 SPECIFIC INHIBITORS OF METHIONYL-TRNA SYNTHETASE UNIVERSITY OF WASHINGTON 2017-09-28 US 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-20170275279-A1 SPECIFIC INHIBITORS OF METHIONYL-TRNA SYNTHETASE AARS1, MTR, GARS1 IDO1 2928/4885HDAC8 3093/4885CYP3A4 3805/4885
US-10913736-B2 Specific inhibitors of methionyl-tRNA synthetase AARS1, MTR, GARS1 IDO1 2928/4885HDAC8 3093/4885CYP3A4 3805/4885

“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.