Sugi Predict

Sugi Predict / Compounds / SCHEMBL14367283

SCHEMBL14367283

SCHEMBL14367283

CCOC(=O)[C@H]1C[C@@H](O)CN1c1ccc([N+](=O)[O-])c(C(F)(F)F)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SIRT6 Q8N6T7 1/20 0.45
▸ MAPT P10636 3/20 0.43
▸ ALDH1A1 P00352 3/20 0.43
▸ AR P10275 5/20 0.42
▸ LMNA P02545 4/20 0.41
▸ HTT P42858 2/20 0.41
▸ CYP3A4 P08684 3/20 0.40
▸ SMN1; SMN2 Q16637 3/20 0.40
▸ CYP1A2 P05177 2/20 0.40
▸ PGR P06401 2/20 0.40
▸ CYP2C9 P11712 2/20 0.40
▸ TSHR P16473 2/20 0.40
▸ CYP2C19 P33261 2/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ TP53 P04637 1/20 0.40
▸ CYP2D6 P10635 1/20 0.40
▸ ALOX12 P18054 1/20 0.40
▸ NFKB1 P19838 1/20 0.40
▸ RAB9A P51151 1/20 0.40

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
SCHEMBL5652839 1.00 SIRT6 (0.45) SIRT6MAPTALDH1A1ARLMNA
SCHEMBL14367286 0.90 SIRT6 (0.47) SIRT6MAPTALDH1A1ARLMNA
SCHEMBL5649862 0.90 SIRT6 (0.47) SIRT6MAPTALDH1A1ARLMNA
SCHEMBL16181298 0.87 ALDH1A1 (0.46) MAPTALDH1A1LMNAHTTSMN1; SMN2
SCHEMBL5651586 0.84 GAA (0.54) SIRT6MAPTALDH1A1ARLMNA
SCHEMBL14367285 0.84 GAA (0.54) SIRT6MAPTALDH1A1ARLMNA
SCHEMBL14367287 0.84 SIRT6 (0.49) SIRT6MAPTALDH1A1ARLMNA
SCHEMBL5651766 0.84 SIRT6 (0.49) SIRT6MAPTALDH1A1ARLMNA
SCHEMBL5652256 0.83 KDM4E (0.51) SIRT6MAPTALDH1A1ARLMNA
SCHEMBL5653777 0.80 MAPT (0.56) MAPTALDH1A1ARLMNAHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9359285-B2 Androgen receptor modulator compounds and methods LIGAND PHARMACEUTICALS INCORPORATED (US) 2016-06-07 — — US disclosed
US-20150099720-A1 ANDROGEN RECEPTOR MODULATOR COMPOUNDS AND METHODS CITIBANK, N.A., AS ADMINISTRATIVE AGENT 2015-04-09 — — US disclosed
US-8865918-B2 Androgen receptor modulator compounds and methods LIGAND PHARMACEUTICALS INCORPORATED (US) 2014-10-21 — — US disclosed
US-8519158-B2 Androgen receptor modulator compounds and methods LIGAND PHARMACEUTICALS INCORPORATED (US) 2013-08-27 — — US disclosed
US-8519158-B2 Androgen receptor modulator compounds and methods LIGAND PHARMACEUTICALS INCORPORATED (US) 2013-08-27 — — US disclosed
US-20070254875-A1 Androgen Receptor Modulator Compounds and Methods CITIBANK, N.A., AS ADMINISTRATIVE AGENT 2007-11-01 — — US disclosed
US-20070254875-A1 Androgen Receptor Modulator Compounds and Methods CITIBANK, N.A., AS ADMINISTRATIVE AGENT 2007-11-01 — — 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-20150099720-A1 ANDROGEN RECEPTOR MODULATOR COMPOUNDS AND METHODS AR, SHBG, NR5A1 SIRT6 1577/4885MAPT 4233/4885ALDH1A1 611/4885
US-20070254875-A1 Androgen Receptor Modulator Compounds and Methods AR, SHBG, NR5A1 SIRT6 1577/4885MAPT 4233/4885ALDH1A1 611/4885

“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.