SCHEMBL4189561

SCHEMBL4189561

CCc1c(C)c2c3c(C(F)(F)F)cc(=O)[nH]c3ccc2n1CCCCCCCCCSc1nnnn1-c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 1/20 0.45
ALDH1A1 P00352 11/20 0.43
LMNA P02545 5/20 0.43
NPSR1 Q6W5P4 2/20 0.43
POLB P06746 2/20 0.43
TSHR P16473 2/20 0.43
HPGD P15428 1/20 0.43
KMT2A Q03164 3/20 0.39
MAPT P10636 3/20 0.39
MEN1 O00255 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
HIF1A Q16665 1/20 0.38
TP53 P04637 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
ESR1 P03372 1/20 0.36
HTT P42858 1/20 0.36
SAE1 Q9UBE0 1/20 0.36
UBA2 Q9UBT2 1/20 0.36
EZH2 Q15910 1/20 0.35
HSD17B10 Q99714 2/20 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
SCHEMBL4189550 0.85 AR (0.52) AR
SCHEMBL4174679 0.81 AR (0.37) ARALDH1A1LMNANPSR1TP53
SCHEMBL4189657 0.79 AR (0.46) ARALDH1A1LMNANPSR1TSHR
SCHEMBL4175652 0.78 AR (0.59) AR
SCHEMBL4172571 0.78 AR (0.59) AR
SCHEMBL4175054 0.78 AR (0.53) ARPOLBTSHRKMT2AMEN1
SCHEMBL4176182 0.78 AR (0.51) AR
SCHEMBL4182677 0.78 AR (0.51) AR
SCHEMBL13697672 0.78 AR (0.51) AR
SCHEMBL4180839 0.78 AR (0.51) 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
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 AR 1/4885ALDH1A1 1408/4885LMNA 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.