SCHEMBL4172338

SCHEMBL4172338

O=C(O)CCCCCCCc1c(-c2ccccc2)[nH]c2ccc3[nH]c(=O)cc(C(F)(F)F)c3c12

nearest known ligand 0.47

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 6/20 0.47
PPARG P37231 3/20 0.41
AR P10275 6/20 0.40
GPR17 Q13304 1/20 0.38
FFAR1 O14842 1/20 0.37
MCL1 Q07820 1/20 0.37

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
SCHEMBL4179060 0.89 AR (0.43) S1PR1PPARGAR
SCHEMBL4182274 0.85 AR (0.41) AR
SCHEMBL4187001 0.84 S1PR1 (0.35) S1PR1ARMCL1
SCHEMBL4174163 0.84 ACHE (0.42) AR
SCHEMBL4183677 0.82 TACR1 (0.40)
SCHEMBL4180847 0.81 TACR1 (0.37)
SCHEMBL4182498 0.72 AR (0.41) AR
SCHEMBL7237834 0.72 PPARG (0.57) PPARGMCL1
SCHEMBL4169607 0.71 AR (0.41) S1PR1ARGPR17
SCHEMBL4186729 0.69 AR (0.42) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090227571-A1 Androgen Receptor Modulator Compounds and Methods LIGAND PHARMACEUTICALS INCORPORATED 2009-09-10 US claimed
US-20090227571-A1 Androgen Receptor Modulator Compounds and Methods LIGAND PHARMACEUTICALS INCORPORATED 2009-09-10 US disclosed
US-20090227571-A1 Androgen Receptor Modulator Compounds and Methods LIGAND PHARMACEUTICALS INCORPORATED 2009-09-10 US disclosed
WO-2007005887-A2 ANDROGEN RECEPTOR MODULATOR COMPOUNDS, COMPOSITIONS AND USES THEREOF LIGAND PHARMACEUTICALS INCORPORATED (US) 2007-01-11 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 (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-20090227571-A1 Androgen Receptor Modulator Compounds and Methods AR, NR5A1, ESRRA S1PR1 1301/4885PPARG 65/4885AR 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.