SCHEMBL2880227

SCHEMBL2880227

CCS(=O)(=O)N1CCc2cc(Br)cc(F)c21

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.48
L3MBTL1 Q9Y468 1/20 0.43
NPSR1 Q6W5P4 1/20 0.40
GAA P10253 3/20 0.39
TSHR P16473 3/20 0.39
ALDH1A1 P00352 3/20 0.39
PKM P14618 1/20 0.39
HSD17B10 Q99714 1/20 0.39
POLB P06746 2/20 0.38
TP53 P04637 2/20 0.37
MAPK1 P28482 1/20 0.37
CASP6 P55212 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
USP2 O75604 1/20 0.36
CYP11B1 P15538 1/20 0.36
CYP11B2 P19099 1/20 0.36
LMNA P02545 1/20 0.36

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
SCHEMBL2883166 0.85 GAA (0.41) MAPTL3MBTL1NPSR1GAATSHR
SCHEMBL2880232 0.73 MAPT (0.62) MAPTGAAPOLBTP53CYP11B1
SCHEMBL14068833 0.72 CYP11B2 (0.37) MAPTGAATP53CYP11B1CYP11B2
SCHEMBL2881867 0.70 PGR (0.51)
SCHEMBL31457876 0.70 NPSR1 (0.58) NPSR1GAAALDH1A1POLBTP53
SCHEMBL14779919 0.66 SRD5A1 (0.46) MAPTNPSR1ALDH1A1HSD17B10CYP11B1
SCHEMBL2877335 0.65 MAPT (0.54) MAPTNPSR1GAATSHRALDH1A1
SCHEMBL26777763 0.65 GAA (0.42) L3MBTL1NPSR1GAATSHRALDH1A1
SCHEMBL24326990 0.65 MAPT (0.46) MAPTGAATSHRALDH1A1POLB
SCHEMBL2882290 0.64 MAPT (0.53) MAPTGAATSHRALDH1A1POLB

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100234422-A1 Sulfonylated Heterocycles Useful for Modulation of the Progesterone Receptor WYETH LLC (US) 2010-09-16 US disclosed
US-7750038-B2 Sulfonylated heterocycles useful for modulation of the progesterone receptor WYETH LLC (US) 2010-07-06 US disclosed
EP-2121657-A1 SULFONYLATED HETEROCYCLES USEFUL FOR MODULATION OF THE PROGESTERONE RECEPTOR Wyeth (US) 2009-11-25 EP disclosed
WO-2008109056-A1 SULFONYLATED HETEROCYCLES USEFUL FOR MODULATION OF THE PROGESTERONE RECEPTOR WYETH (US) 2008-09-12 WO disclosed
US-20080221160-A1 SULFONYLATED HETEROCYCLES USEFUL FOR MODULATION OF THE PROGESTERONE RECEPTOR WYETH (US) 2008-09-11 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 (2 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-20080221160-A1 SULFONYLATED HETEROCYCLES USEFUL FOR MODULATION OF THE PROGESTERONE RECEPTOR GNRHR, FSHR, PRLHR MAPT 4879/4885L3MBTL1 3426/4885NPSR1 30/4885
US-20100234422-A1 Sulfonylated Heterocycles Useful for Modulation of the Progesterone Receptor GNRHR, FSHR, PRLHR MAPT 4879/4885L3MBTL1 3426/4885NPSR1 30/4885

“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.