SCHEMBL2859481

SCHEMBL2859481

Nc1cccc2[nH]c(=O)cc(C(F)(F)F)c12

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
AR P10275 18/20 0.53
PARP1 P09874 1/20 0.43
MAP4K4 O95819 1/20 0.42
PIM1 P11309 1/20 0.42
GPX4 P36969 1/20 0.42
GSK3B P49841 1/20 0.42
PIM3 Q86V86 1/20 0.42
BRSK1 Q8TDC3 1/20 0.42
MAP4K5 Q9Y4K4 1/20 0.42

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
SCHEMBL1771743 0.82 AR (0.48) ARMAP4K4PIM1GPX4GSK3B
SCHEMBL13216933 0.81 AR (0.47) ARMAP4K4PIM1GPX4GSK3B
SCHEMBL2741022 0.81 AR (0.63) ARMAP4K4PIM1GPX4GSK3B
SCHEMBL1771467 0.78 AR (0.54) AR
SCHEMBL2741026 0.78 PDPK1 (0.44) ARPARP1
SCHEMBL1772838 0.76 AR (0.49) AR
SCHEMBL6023684 0.76 TNKS2 (0.52) ARPARP1
SCHEMBL1771689 0.76 AR (0.51) AR
SCHEMBL13237211 0.74 CYP1A2 (0.39) ARPARP1PIM3
SCHEMBL1772177 0.73 AR (0.50) AR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11358931-B2 Selective androgen receptor modulators (SARMs) and uses thereof LIGAND PHARMACEUTICALS INCORPORATED (US) 2022-06-14 US disclosed
US-20200361866-A1 SELECTIVE ANDROGEN RECEPTOR MODULATORS (SARMS) AND USES THEREOF CITIBANK, N.A., AS ADMINISTRATIVE AGENT 2020-11-19 US disclosed
US-20100210678-A1 Tricyclic androgen receptor modulator compounds and methods LIGAND PHARMACEUTICALS INCORPORATED 2010-08-19 US disclosed
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-7727980-B2 Tricyclic androgen receptor modulator compounds and methods LIGAND PHARMACEUTICALS INCORPORATED (US) 2010-06-01 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-20070293528-A9 Tricyclic androgen receptor modulator compounds and methods LIGAND PHARMACEUTICALS, INC. 2007-12-20 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 (6 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-20200361866-A1 SELECTIVE ANDROGEN RECEPTOR MODULATORS (SARMS) AND USES THEREOF AR, NR5A1, SHBG AR 1/4885PARP1 2785/4885MAP4K4 875/4885
US-11358931-B2 Selective androgen receptor modulators (SARMs) and uses thereof AR, NR5A1, SHBG AR 1/4885PARP1 2979/4885MAP4K4 1055/4885
US-20020183346-A1 Tricyclic androgen receptor modulator compounds and methods AR, NR5A1, ESRRA AR 1/4885PARP1 2215/4885MAP4K4 1470/4885
US-20070293528-A9 Tricyclic androgen receptor modulator compounds and methods AR, NR5A1, ESRRA AR 1/4885PARP1 2215/4885MAP4K4 1470/4885
US-20100210678-A1 Tricyclic androgen receptor modulator compounds and methods AR, NR5A1, ESRRA AR 1/4885PARP1 2999/4885MAP4K4 1968/4885
US-20060128740-A1 Tricyclic androgen receptor modulator compounds and methods AR, NR5A1, ESRRA AR 1/4885PARP1 2215/4885MAP4K4 1470/4885

“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.