Sugi Predict

Sugi Predict / Compounds / SCHEMBL12932289

SCHEMBL12932289

SCHEMBL12932289

CC(C)C(=O)Nc1ccc([N+](=O)O)c(C(F)(F)F)c1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AR P10275 6/20 0.78
▸ CYP3A4 P08684 2/20 0.78
▸ ALDH1A1 P00352 2/20 0.78
▸ GLA P06280 2/20 0.78
▸ CES2 O00748 1/20 0.78
▸ ABCB11 O95342 1/20 0.78
▸ LMNA P02545 1/20 0.78
▸ CYP1A2 P05177 1/20 0.78
▸ ADORA3 P0DMS8 1/20 0.78
▸ CHRM1 P11229 1/20 0.78
▸ CYP2C9 P11712 1/20 0.78
▸ ALOX15 P16050 1/20 0.78
▸ TSHR P16473 1/20 0.78
▸ TBXA2R P21731 1/20 0.78
▸ AADAC P22760 1/20 0.78
▸ MAPK1 P28482 1/20 0.78
▸ CYP2C19 P33261 1/20 0.78
▸ ADRA1A P35348 1/20 0.78
▸ HTT P42858 1/20 0.78
▸ HTR6 P50406 1/20 0.78

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
SCHEMBL12731497 0.90 AR (0.80) ARCYP3A4ALDH1A1GLACES2
Flutamide SCHEMBL29349783 0.88 AR (1.00) ARCYP3A4ALDH1A1GLACES2
Flutamide SCHEMBL3934 0.88 AR (1.00) ARCYP3A4ALDH1A1GLACES2
Flutamide SCHEMBL1461845 0.88 AR (1.00) ARCYP3A4ALDH1A1GLACES2
Flutamide SCHEMBL21753660 0.86 AR (0.97) ARCYP3A4ALDH1A1GLACES2
Flutamide SCHEMBL28162762 0.86 AR (0.97) ARCYP3A4ALDH1A1GLACES2
Flutamide SCHEMBL679388 0.84 AR (0.93) ARCYP3A4ALDH1A1GLACES2
Flutamide SCHEMBL7104567 0.83 AR (0.90) ARCYP3A4ALDH1A1GLACES2
SCHEMBL11879435 0.82 ALDH1A1 (0.68) ARCYP3A4ALDH1A1GLACES2
SCHEMBL15942956 0.82 AR (0.64) ARCYP3A4ALDH1A1GLACES2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3702783-A1 METHODS FOR DETERMINING CELLS SUCH AS CIRCULATING CANCER OR FETAL CELLS Analiza, Inc. (US) 2020-09-02 — — EP disclosed
US-20200237670-A1 DYE-STABILIZED NANOPARTICLES AND METHODS OF THEIR MANUFACTURE AND THERAPEUTIC USE MEMORIAL SLOAN KETTERING CANCER CENTER (US) 2020-07-30 — — US disclosed
US-20110009387-A1 HISTONE H2AX (HH2AX) BIOMARKER FOR FTI SENSITIVITY SCHERING CORPORATION 2011-01-13 — — US disclosed
US-20080119517-A1 COMPOSITIONS AND METHODS FOR PROTECTING AGAINST MITOCHONDRIA COMPONENT-MEDIATED PATHOLOGY CORNELL RESEARCH FOUNDATION, INC. (US) 2008-05-22 — — US disclosed
US-20080112888-A1 IGFBP2 BIOMARKER SCHERING CORPORATION 2008-05-15 — — US disclosed
US-20070142308-A1 Angiogenesis-affecting compounds and methods for use thereof ANGIOGENETICS SWEDEN AB (SE) 2007-06-21 — — 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-20200237670-A1 DYE-STABILIZED NANOPARTICLES AND METHODS OF THEIR MANUFACTURE AND THERAPEUTIC USE TP53, SCNN1B, HCCS AR 3041/4885CYP3A4 1436/4885ALDH1A1 1867/4885
US-20080112888-A1 IGFBP2 BIOMARKER IGFBP2, IGFBP1, IGFBP5 AR 737/4885CYP3A4 3596/4885ALDH1A1 2536/4885
US-20110009387-A1 HISTONE H2AX (HH2AX) BIOMARKER FOR FTI SENSITIVITY TERF2IP, TERF2, DOT1L AR 4144/4885CYP3A4 4781/4885ALDH1A1 3339/4885

“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.