SCHEMBL2865965

SCHEMBL2865965

Cc1c2c(cc3c(C(F)(F)F)cc(=O)oc13)CCC(C)(C)N2

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 15/20 0.61
PGR P06401 4/20 0.61
NR3C2 P08235 1/20 0.61
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
CYP1A2 P05177 2/20 0.48
CRHBP P24387 1/20 0.48
CASP1 P29466 1/20 0.48
CYP2C19 P33261 1/20 0.48
CASP7 P55210 1/20 0.48
CRHR2 Q13324 1/20 0.48
ALDH1A1 P00352 1/20 0.44
HPGD P15428 1/20 0.44
HSD17B10 Q99714 1/20 0.44
USP2 O75604 1/20 0.43
HTT P42858 1/20 0.43
KEAP1 Q14145 1/20 0.43
NFE2L2 Q16236 1/20 0.43
GPR35 Q9HC97 1/20 0.43
TDP1 Q9NUW8 1/20 0.43

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
SCHEMBL2859774 0.76 AR (1.00) ARPGRNR3C2
SCHEMBL9426317 0.68 ALDH1A1 (0.50) ARPGRNR3C2MEN1KMT2A
SCHEMBL5231375 0.67 AR (0.75) ARPGRNR3C2
SCHEMBL14409343 0.66 AR (0.69) ARPGRNR3C2
SCHEMBL9132215 0.65 CYP1A2 (0.66) ARPGRMEN1KMT2ACYP1A2
SCHEMBL19236106 0.65 AR (1.00) ARPGRNR3C2
SCHEMBL9131747 0.64 KCNA3 (0.60) MEN1KMT2ACYP1A2CRHBPCASP1
SCHEMBL9135495 0.64 CSNK2A2 (0.69) CYP1A2ALDH1A1HPGDHSD17B10CYP1A1
SCHEMBL10840425 0.63 AR (0.45) ARPGRNR3C2
SCHEMBL9133816 0.63 ALDH1A1 (0.47) ARPGRNR3C2MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100210678-A1 Tricyclic androgen receptor modulator compounds and methods LIGAND PHARMACEUTICALS INCORPORATED 2010-08-19 US claimed
US-20070293528-A9 Tricyclic androgen receptor modulator compounds and methods LIGAND PHARMACEUTICALS, INC. 2007-12-20 US claimed
US-20060128740-A1 Tricyclic androgen receptor modulator compounds and methods ZHI LIN 2006-06-15 US claimed
US-20020183346-A1 Tricyclic androgen receptor modulator compounds and methods LIGAND PHARMACEUTICALS INCORPORATED 2002-12-05 US claimed
US-20100210678-A1 Tricyclic androgen receptor modulator compounds and methods LIGAND PHARMACEUTICALS INCORPORATED 2010-08-19 US disclosed
US-7727980-B2 Tricyclic androgen receptor modulator compounds and methods LIGAND PHARMACEUTICALS INCORPORATED (US) 2010-06-01 US disclosed
US-20070293528-A9 Tricyclic androgen receptor modulator compounds and methods LIGAND PHARMACEUTICALS, INC. 2007-12-20 US disclosed
US-20060128740-A1 Tricyclic androgen receptor modulator compounds and methods ZHI LIN 2006-06-15 US disclosed
US-7026484-B2 For therapy of cancer LIGAND PHARMACEUTICALS INCORPORATED (US) 2006-04-11 US disclosed
EP-1363909-A2 TRICYCLIC ANDROGEN RECEPTOR MODULATOR COMPOUNDS LIGAND PHARMACEUTICALS INCORPORATED (US) 2003-11-26 EP disclosed
US-20020183346-A1 Tricyclic androgen receptor modulator compounds and methods LIGAND PHARMACEUTICALS INCORPORATED 2002-12-05 US disclosed
WO-2002066475-A2 TRICYCLIC ANDROGEN RECEPTOR MODULATOR COMPOUNDS LIGAND PHARMACEUTICALS INCORPORATED (US) 2002-08-29 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 (4 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-20020183346-A1 Tricyclic androgen receptor modulator compounds and methods AR, NR5A1, ESRRA AR 1/4885PGR 42/4885NR3C2 14/4885
US-20070293528-A9 Tricyclic androgen receptor modulator compounds and methods AR, NR5A1, ESRRA AR 1/4885PGR 42/4885NR3C2 14/4885
US-20100210678-A1 Tricyclic androgen receptor modulator compounds and methods AR, NR5A1, ESRRA AR 1/4885PGR 46/4885NR3C2 14/4885
US-20060128740-A1 Tricyclic androgen receptor modulator compounds and methods AR, NR5A1, ESRRA AR 1/4885PGR 42/4885NR3C2 14/4885

“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.