Sugi Predict

Sugi Predict / Compounds / SCHEMBL5653751

SCHEMBL5653751

SCHEMBL5653751

O=[N+]([O-])c1ccc(N2CCC[C@@H]2[C@@H](O)C(F)(F)F)cc1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ AR P10275 1/20 0.52
▸ MAPT P10636 8/20 0.42
▸ POLB P06746 2/20 0.40
▸ ALDH1A1 P00352 4/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ ALOX12 P18054 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ SIRT6 Q8N6T7 2/20 0.38
▸ ADRB1 P08588 1/20 0.38
▸ LMNA P02545 1/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ KMT2A Q03164 1/20 0.37

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
SCHEMBL5651650 1.00 AR (0.52) ARMAPTPOLBALDH1A1MAPK1
SCHEMBL5650919 1.00 AR (0.52) ARMAPTPOLBALDH1A1MAPK1
SCHEMBL5651654 1.00 AR (0.52) ARMAPTPOLBALDH1A1MAPK1
SCHEMBL5650915 1.00 AR (0.52) ARMAPTPOLBALDH1A1MAPK1
SCHEMBL5652802 1.00 AR (0.52) ARMAPTPOLBALDH1A1MAPK1
SCHEMBL5652417 1.00 AR (0.52) ARMAPTPOLBALDH1A1MAPK1
SCHEMBL5653873 1.00 AR (0.52) ARMAPTPOLBALDH1A1MAPK1
SCHEMBL6511461 0.81 AR (0.63) ARMAPTPOLBALDH1A1MAPK1
SCHEMBL223509 0.81 AR (0.63) ARMAPTPOLBALDH1A1MAPK1
SCHEMBL2741037 0.81 AR (0.63) ARMAPTPOLBALDH1A1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150099720-A1 ANDROGEN RECEPTOR MODULATOR COMPOUNDS AND METHODS CITIBANK, N.A., AS ADMINISTRATIVE AGENT 2015-04-09 — — US claimed
US-20140005186-A1 ANDROGEN RECEPTOR MODULATOR COMPOUNDS AND METHODS LIGAND PHARMACEUTICALS INCORPORATED (US) 2014-01-02 — — US claimed
US-8519158-B2 Androgen receptor modulator compounds and methods LIGAND PHARMACEUTICALS INCORPORATED (US) 2013-08-27 — — US claimed
US-20070254875-A1 Androgen Receptor Modulator Compounds and Methods CITIBANK, N.A., AS ADMINISTRATIVE AGENT 2007-11-01 — — US claimed
US-9359285-B2 Androgen receptor modulator compounds and methods LIGAND PHARMACEUTICALS INCORPORATED (US) 2016-06-07 — — US disclosed
US-9359285-B2 Androgen receptor modulator compounds and methods LIGAND PHARMACEUTICALS INCORPORATED (US) 2016-06-07 — — US disclosed
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-20150099720-A1 ANDROGEN RECEPTOR MODULATOR COMPOUNDS AND METHODS CITIBANK, N.A., AS ADMINISTRATIVE AGENT 2015-04-09 — — 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-8865918-B2 Androgen receptor modulator compounds and methods LIGAND PHARMACEUTICALS INCORPORATED (US) 2014-10-21 — — US disclosed
US-8865918-B2 Androgen receptor modulator compounds and methods LIGAND PHARMACEUTICALS INCORPORATED (US) 2014-10-21 — — US disclosed
US-20140005186-A1 ANDROGEN RECEPTOR MODULATOR COMPOUNDS AND METHODS LIGAND PHARMACEUTICALS INCORPORATED (US) 2014-01-02 — — 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-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
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 (3 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 AR 1/4885MAPT 4233/4885POLB 2821/4885
US-20140005186-A1 ANDROGEN RECEPTOR MODULATOR COMPOUNDS AND METHODS AR, SHBG, NR5A1 AR 1/4885MAPT 4233/4885POLB 2821/4885
US-20070254875-A1 Androgen Receptor Modulator Compounds and Methods AR, SHBG, NR5A1 AR 1/4885MAPT 4233/4885POLB 2821/4885

“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.