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Sugi Predict / Compounds / SCHEMBL116106

SCHEMBL116106

SCHEMBL116106

O=C(Nc1ccc(Cl)c(Cl)c1)[C@@H]1[C@H]2C(=O)O[C@H]3c4ccccc4C(=O)[C@@]23O[C@H]1c1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ FARS2 O95363 5/20 1.00
▸ NFKB1 P19838 2/20 0.39
▸ NFKB2 Q00653 2/20 0.39
▸ RELA Q04206 2/20 0.39
▸ MAPT P10636 5/20 0.38
▸ LMNA P02545 1/20 0.38
▸ TP53 P04637 1/20 0.38
▸ NPC1 O15118 2/20 0.37
▸ RAB9A P51151 2/20 0.37
▸ MAOB P27338 1/20 0.36
▸ MEN1 O00255 2/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ SERPINE1 P05121 1/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ GFER P55789 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
SCHEMBL117504 1.00 FARS2 (1.00) FARS2NFKB1NFKB2RELAMAPT
SCHEMBL116095 0.81 FARS2 (1.00) FARS2NFKB1NFKB2RELAMAPT
SCHEMBL117295 0.81 FARS2 (1.00) FARS2NFKB1NFKB2RELAMAPT
SCHEMBL117490 0.81 FARS2 (1.00) FARS2NFKB1NFKB2RELAMAPT
SCHEMBL117488 0.81 FARS2 (1.00) FARS2NFKB1NFKB2RELAMAPT
SCHEMBL118476 0.81 FARS2 (1.00) FARS2NFKB1NFKB2RELAMAPT
SCHEMBL117501 0.81 FARS2 (1.00) FARS2NFKB1NFKB2RELAMAPT
SCHEMBL13104419 0.69 FARS2 (0.54) FARS2MAPTLMNANPC1RAB9A
SCHEMBL13104371 0.62 FARS2 (0.74) FARS2MAPTLMNANPC1RAB9A
SCHEMBL13743873 0.59 NPC1 (0.53) FARS2NFKB1NFKB2RELAMAPT

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 FARS2 163/4885NFKB1 2539/4885NFKB2 2667/4885

“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.