SCHEMBL16623998

SCHEMBL16623998

Cc1cc(N(CC(F)(F)F)CC(F)(F)F)ccc1Br

nearest known ligand 0.49

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
AR P10275 17/20 0.49
S1PR1 P21453 1/20 0.43
S100B P04271 1/20 0.42
MME P08473 1/20 0.39

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
SCHEMBL850581 0.79 AR (0.36) ARS1PR1
SCHEMBL3050949 0.78 AR (0.48) AR
SCHEMBL25685711 0.77 S100B (0.48) ARS1PR1S100BMME
SCHEMBL15477661 0.74 KMT2A (0.49) S1PR1S100B
SCHEMBL15477495 0.74 S100B (0.42) S1PR1S100B
SCHEMBL25012775 0.74 AR (0.46) AR
SCHEMBL30608633 0.74 AR (0.47) ARS1PR1
SCHEMBL16104766 0.74 S100B (0.33) ARS100B
SCHEMBL7695223 0.71 S100B (0.43) ARS1PR1S100B
SCHEMBL5652170 0.71 MAPT (0.61) ARS1PR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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 1/4885S1PR1 1247/4885S100B 3822/4885

“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.