SCHEMBL4175111

SCHEMBL4175111

CCCCC(C)NS(=O)(=O)c1ccc(CC(=O)O)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.55
CA12 O43570 1/20 0.54
CA2 P00918 1/20 0.54
CA9 Q16790 1/20 0.54
NPSR1 Q6W5P4 1/20 0.50
ALDH1A1 P00352 7/20 0.49
CYP1A2 P05177 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
HPGD P15428 1/20 0.49
HSD17B10 Q99714 1/20 0.49
MEP1B Q16820 1/20 0.47
ATM Q13315 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
POLB P06746 1/20 0.45
KDM4E B2RXH2 1/20 0.44
TBXA2R P21731 1/20 0.44
ADAMTS4 O75173 1/20 0.43
AKT1 P31749 1/20 0.43
IRS1 P35568 1/20 0.43

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
SCHEMBL5450110 0.81 NPSR1 (0.72) NPSR1ALDH1A1MEP1BATML3MBTL1
SCHEMBL9462804 0.81 SMN1; SMN2 (0.81) SMN1; SMN2CA12CA2CA9ALDH1A1
SCHEMBL12575138 0.79 CA2 (0.60) SMN1; SMN2CA12CA2CA9ALDH1A1
SCHEMBL8561981 0.78 CA2 (0.56) SMN1; SMN2CA12CA2CA9NPSR1
SCHEMBL8839233 0.77 PLAU (0.57) SMN1; SMN2CA2
SCHEMBL8839231 0.77 PLAU (0.57) SMN1; SMN2CA2
SCHEMBL8839560 0.77 PLAU (0.57) CA12CA2CA9TBXA2R
SCHEMBL8839532 0.77 PLAU (0.57) CA12CA2CA9TBXA2R
SCHEMBL8839538 0.77 PLAU (0.57) CA12CA2CA9TBXA2R
SCHEMBL29207034 0.76 ALDH1A1 (0.65) SMN1; SMN2CA12CA2CA9ALDH1A1

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 3 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
WO-2007005887-A2 ANDROGEN RECEPTOR MODULATOR COMPOUNDS, COMPOSITIONS AND USES THEREOF LIGAND PHARMACEUTICALS INCORPORATED (US) 2007-01-11 WO claimed
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 SMN1; SMN2 4862/4885CA12 3565/4885CA2 2876/4885

“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.