SCHEMBL5514501

SCHEMBL5514501

CC(C)Oc1cc(C(F)(F)F)c2cc(N)c(O)cc2n1

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.33
BACE1 P56817 1/20 0.33
AR P10275 1/20 0.32

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
SCHEMBL5523178 0.83 SOS1 (0.36) BACE1
SCHEMBL5527087 0.81 NR4A2 (0.32) MAPTAR
SCHEMBL14470763 0.80 ALDH1A1 (0.36) MAPTBACE1AR
SCHEMBL1771768 0.78 BACE1 (0.40) MAPTBACE1AR
SCHEMBL5517188 0.78 MAPT (0.30) MAPT
SCHEMBL5519140 0.78 AR (0.34) MAPTAR
SCHEMBL5518776 0.74 AR (0.34) AR
SCHEMBL7257613 0.73 BACE1 (0.54) MAPTBACE1
SCHEMBL473978 0.73 NT5E (0.44) MAPTBACE1
SCHEMBL474009 0.73 TDP1 (0.42) MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070167445-A1 Androgen receptor modulator compounds and methods LIGAND PHARMACEUTICALS, INC. 2007-07-19 US disclosed
US-20070167445-A1 Androgen receptor modulator compounds and methods LIGAND PHARMACEUTICALS, INC. 2007-07-19 US disclosed
EP-1212330-B1 ANDROGEN RECEPTOR MODULATOR COMPOUNDS AND METHODS LIGAND PHARM INC (US) 2006-04-19 EP disclosed
US-20030186970-A1 Androgen receptor modulator compounds and methods LIGAND PHARMACEUTICALS, INC, 2003-10-02 US disclosed
CN-1391576-A Androgen receptor modulator compounds and methods LIGAND PHARM INC (US) 2003-01-15 CN disclosed
US-6462038-B1 SUCH AS 1,2,3,6-TETRAHYDRO-1-METHYL-9-(TRIFLUOROMETHYL)-7H-(1,4)OXAZINO(3,2 -G)QUINOLIN-7-ONE; NONSTEROIDAL, HIGH AFFINITY AND SPECIFICITY ANTAGONISTS AND AGONISTS OR PARTIAL AGONISTS, I.E. PARTIAL AND/OR TISSUE SPECIFIC ACTIVATORS LIGAND PHARMACEUTICALS, INC. 2002-10-08 US disclosed
WO-2001016139-A9 ANDROGEN RECEPTOR MODULATOR COMPOUNDS AND METHODS LIGAND PHARM INC (US) 2002-09-19 WO disclosed
EP-1212330-A1 ANDROGEN RECEPTOR MODULATOR COMPOUNDS AND METHODS LIGAND PHARMACEUTICALS INCORPORATED (US) 2002-06-12 EP disclosed
WO-2001016139-A1 ANDROGEN RECEPTOR MODULATOR COMPOUNDS AND METHODS LIGAND PHARMACEUTICALS INCORPORATED (US) 2001-03-08 WO 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-20030186970-A1 Androgen receptor modulator compounds and methods AR, NR5A1, FSHR MAPT 3730/4885BACE1 2675/4885AR 1/4885
US-20070167445-A1 Androgen receptor modulator compounds and methods AR, NR5A1, FSHR MAPT 3730/4885BACE1 2675/4885AR 1/4885

“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.