SCHEMBL4180847

SCHEMBL4180847

O=C(CCCCCCCc1c(-c2ccccc2)[nH]c2ccc3[nH]c(=O)cc(C(F)(F)F)c3c12)N1CCN(S(=O)(=O)N2CCCCC2)CC1

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 7/20 0.37
PDE3B Q13370 2/20 0.35
PDE3A Q14432 2/20 0.35
P2RY12 Q9H244 1/20 0.35
LMNA P02545 1/20 0.35
TP53 P04637 1/20 0.35
MAPT P10636 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
POLB P06746 1/20 0.34

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
SCHEMBL4179242 0.92 PDE3B (0.41) TACR1PDE3BPDE3AP2RY12
SCHEMBL4183677 0.91 TACR1 (0.40) TACR1PDE3BPDE3ALMNATP53
SCHEMBL4172338 0.81 S1PR1 (0.47)
SCHEMBL4179060 0.76 AR (0.43) LMNATP53MAPTL3MBTL1POLB
SCHEMBL14625641 0.75 GAA (0.37) TACR1PDE3BPDE3ALMNATP53
SCHEMBL4182274 0.73 AR (0.41) MAPT
SCHEMBL4187001 0.72 S1PR1 (0.35)
SCHEMBL4174163 0.72 ACHE (0.42) MAPT
SCHEMBL4169497 0.69 AR (0.38) TACR1LMNATP53MAPTL3MBTL1
SCHEMBL4169501 0.69 AR (0.38) TACR1LMNATP53MAPTL3MBTL1

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
US-20090227571-A1 Androgen Receptor Modulator Compounds and Methods LIGAND PHARMACEUTICALS INCORPORATED 2009-09-10 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-20090227571-A1 Androgen Receptor Modulator Compounds and Methods AR, NR5A1, ESRRA TACR1 151/4885PDE3B 695/4885PDE3A 600/4885

“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.