SCHEMBL117553

SCHEMBL117553

CC[C@H](C)[C@H](N)C(=O)OCCN(O)C(=O)c1ccc(OC)c(O)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IARS1 P41252 10/20 1.00
MARS1 P56192 4/20 0.66
CYP1A2 P05177 1/20 0.39
HSP90AA1 P07900 1/20 0.39
HSP90AB1 P08238 1/20 0.39
BLM P54132 1/20 0.39
TUBB1 Q9H4B7 2/20 0.38
TUBB4A P04350 1/20 0.38
TUBB P07437 1/20 0.38
TUBA3C P0DPH7 1/20 0.38
TUBA1B P68363 1/20 0.38
TUBA4A P68366 1/20 0.38
TUBB4B P68371 1/20 0.38
TUBB3 Q13509 1/20 0.38
TUBB2A Q13885 1/20 0.38
TUBB8 Q3ZCM7 1/20 0.38
TUBA3E Q6PEY2 1/20 0.38
TUBA1A Q71U36 1/20 0.38
TUBA1C Q9BQE3 1/20 0.38
TUBB6 Q9BUF5 1/20 0.38

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
SCHEMBL31171264 0.68 IARS1 (0.67) IARS1ALOX15ALOX12
SCHEMBL3665648 0.68 AAK1 (0.59) IARS1CYP1A2ALOX15ALOX12
SCHEMBL17996454 0.67 TUBB1 (0.56) IARS1TUBB1TUBB4ATUBBTUBA3C
SCHEMBL3665421 0.66 IARS1 (0.62) IARS1ALOX15ALOX12
SCHEMBL3635284 0.65 IARS1 (0.57) IARS1CYP1A2TUBB1ALOX15ALOX12
SCHEMBL22393382 0.64 IARS1 (0.45) IARS1
SCHEMBL460455 0.64 HSD17B2 (0.77) CYP1A2TUBB1TUBB4ATUBBTUBA3C
SCHEMBL25139441 0.63 RECQL (0.65) CYP1A2TUBB1TUBB4ATUBBTUBA3C
SCHEMBL662208 0.63 MEN1 (0.60) CYP1A2TUBB1TUBB4ATUBBTUBA3C
SCHEMBL3666616 0.63 IARS1 (0.47) IARS1TUBB1TUBB4ATUBBTUBA3C

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-20120058133-A1 INHIBITION OF TRNA SYNTHETASES AND THERAPEUTIC APPLICATIONS THEREOF PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2012-03-08 US disclosed
US-20120058133-A1 INHIBITION OF TRNA SYNTHETASES AND THERAPEUTIC APPLICATIONS THEREOF PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2012-03-08 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 (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-20120058133-A1 INHIBITION OF TRNA SYNTHETASES AND THERAPEUTIC APPLICATIONS THEREOF AARS1, GARS1, TRMT1 IARS1 46/4885MARS1 55/4885CYP1A2 4312/4885

“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.