SCHEMBL4183677

SCHEMBL4183677

CCS(=O)(=O)N1CCN(C(=O)CCCCCCCc2c(-c3ccccc3)[nH]c3ccc4[nH]c(=O)cc(C(F)(F)F)c4c23)CC1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 10/20 0.40
GAA P10253 1/20 0.37
LMNA P02545 3/20 0.36
TSHR P16473 1/20 0.36
TP53 P04637 1/20 0.36
MAPT P10636 1/20 0.36
PDE3B Q13370 1/20 0.35
PDE3A Q14432 1/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HTT P42858 1/20 0.35

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
SCHEMBL4180847 0.91 TACR1 (0.37) TACR1LMNATP53MAPTPDE3B
SCHEMBL4179242 0.89 PDE3B (0.41) TACR1GAAPDE3BPDE3AALDH1A1
SCHEMBL14625641 0.84 GAA (0.37) TACR1GAALMNATSHRTP53
SCHEMBL4172338 0.82 S1PR1 (0.47)
SCHEMBL4179060 0.81 AR (0.43) GAALMNATP53MAPTKDM4E
SCHEMBL4169497 0.78 AR (0.38) TACR1GAALMNATSHRTP53
SCHEMBL4169501 0.78 AR (0.38) TACR1GAALMNATSHRTP53
SCHEMBL4182274 0.78 AR (0.41) TSHRMAPTKDM4EALDH1A1
SCHEMBL4174163 0.77 ACHE (0.42) TSHRMAPTKDM4EALDH1A1
SCHEMBL4187001 0.74 S1PR1 (0.35)

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 151/4885GAA 4594/4885LMNA 3833/4885

“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.