SCHEMBL2880384

SCHEMBL2880384

CS(=O)(=O)N1CCCc2cc(Br)ccc21

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.53
KMT2A Q03164 3/20 0.53
NPC1 O15118 2/20 0.53
HTR6 P50406 1/20 0.51
TP53 P04637 3/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
HPGD P15428 1/20 0.49
GLA P06280 1/20 0.48
POLB P06746 1/20 0.48
MAPT P10636 3/20 0.46
RAB9A P51151 1/20 0.45
CYP11B1 P15538 1/20 0.45
CYP11B2 P19099 1/20 0.45
NLRP3 Q96P20 1/20 0.44
PDK1 Q15118 1/20 0.44
PDK2 Q15119 1/20 0.44
PDK3 Q15120 1/20 0.44
PDK4 Q16654 1/20 0.44

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
SCHEMBL288153 0.90 NPC1 (0.62) MEN1KMT2ANPC1SMN1; SMN2HPGD
SCHEMBL2877335 0.85 MAPT (0.54) MEN1KMT2AHTR6TP53MAPT
SCHEMBL10066942 0.83 TP53 (0.57) MEN1KMT2ANPC1TP53SMN1; SMN2
SCHEMBL2882066 0.81 HTR6 (0.47) MEN1KMT2ANPC1HTR6TP53
SCHEMBL3182062 0.81 TP53 (0.55) MEN1KMT2ANPC1TP53SMN1; SMN2
SCHEMBL9464771 0.81 TP53 (0.49) MEN1KMT2ATP53SMN1; SMN2HPGD
SCHEMBL18363030 0.80 TP53 (0.62) MEN1KMT2AHTR6TP53POLB
SCHEMBL13531815 0.80 MEN1 (0.66) MEN1KMT2ATP53SMN1; SMN2MAPT
SCHEMBL15101544 0.79 HPGD (0.64) MEN1KMT2ANPC1TP53SMN1; SMN2
SCHEMBL10022381 0.79 TP53 (0.65) MEN1KMT2ATP53SMN1; SMN2HPGD

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 MEN1 490/4885KMT2A 2197/4885NPC1 4498/4885
US-20100234422-A1 Sulfonylated Heterocycles Useful for Modulation of the Progesterone Receptor GNRHR, FSHR, PRLHR MEN1 490/4885KMT2A 2197/4885NPC1 4498/4885

“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.