SCHEMBL2881602

SCHEMBL2881602

CC(C)S(=O)(=O)N1CCc2cc(Br)ccc21

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 3/20 0.56
NPC1 O15118 2/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
MAPT P10636 2/20 0.44
SRD5A1 P18405 1/20 0.42
ABHD6 Q9BV23 1/20 0.41
GLA P06280 1/20 0.41
POLB P06746 1/20 0.41
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
NFKB1 P19838 1/20 0.40
HTR2A P28223 1/20 0.40
HTR2C P28335 1/20 0.40
HTR2B P41595 1/20 0.40
HIF1A Q16665 1/20 0.40
HTR6 P50406 2/20 0.40
GAA P10253 1/20 0.40
TUBB4A P04350 1/20 0.40

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
SCHEMBL4556118 0.88 CYP11B1 (0.49) CYP11B1NPC1MEN1KMT2AMAPT
SCHEMBL288153 0.83 NPC1 (0.62) CYP11B1NPC1MEN1KMT2AGLA
SCHEMBL3243743 0.82 CYP11B1 (0.56) CYP11B1MEN1KMT2AGLAPOLB
SCHEMBL2880232 0.80 MAPT (0.62) CYP11B1NPC1MEN1KMT2AMAPT
SCHEMBL2694591 0.78 CYP11B1 (0.54) CYP11B1MEN1KMT2AMAPTPOLB
SCHEMBL2882290 0.77 MAPT (0.53) CYP11B1NPC1MEN1KMT2AMAPT
SCHEMBL26005660 0.75 MAPT (0.63) CYP11B1MAPTPOLBHTR6DRD3
SCHEMBL2074679 0.75 DRD3 (0.62) MEN1KMT2AMAPTCYP3A4CYP2D6
SCHEMBL2880384 0.74 MEN1 (0.53) CYP11B1NPC1MEN1KMT2AMAPT
SCHEMBL14068888 0.72 CYP11B1 (0.56) CYP11B1NPC1MEN1KMT2AMAPT

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 CYP11B1 987/4885NPC1 4498/4885MEN1 490/4885
US-20100234422-A1 Sulfonylated Heterocycles Useful for Modulation of the Progesterone Receptor GNRHR, FSHR, PRLHR CYP11B1 987/4885NPC1 4498/4885MEN1 490/4885

“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.