SCHEMBL3324628

SCHEMBL3324628

O=S(=O)(NCC12CC3CC(CC(C3)C1)C2)c1cc(Cl)ccc1Cl

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 8/20 0.55
GAA P10253 1/20 0.48
MCL1 Q07820 3/20 0.47
POLB P06746 1/20 0.46
RAB9A P51151 1/20 0.46
HSD11B1 P28845 1/20 0.46
HPGD P15428 1/20 0.46
TSHR P16473 1/20 0.46
CCR1 P32246 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
SCHEMBL3321377 0.80 MCL1 (0.49) P2RX7MCL1POLBHSD11B1HPGD
SCHEMBL5510534 0.80 P2RX7 (0.46) P2RX7POLB
SCHEMBL3325063 0.76 HSD11B1 (0.60) P2RX7HSD11B1
SCHEMBL9577232 0.75 GAA (0.69) GAAMCL1POLBRAB9AHPGD
SCHEMBL28582158 0.72 GAA (0.57) GAAMCL1POLBRAB9AHPGD
SCHEMBL7571588 0.71 P2RX7 (1.00) P2RX7
SCHEMBL9577219 0.71 GAA (0.73) GAAMCL1POLBRAB9AHPGD
SCHEMBL5324394 0.70 GAA (0.62) GAAMCL1POLBRAB9AHPGD
SCHEMBL198691 0.70 GAA (0.58) GAAMCL1POLBRAB9AHPGD
SCHEMBL3717918 0.70 GAA (0.67) GAAMCL1POLBRAB9AHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100120789-A1 Compound STERIX LIMITED (GB) 2010-05-13 US disclosed
US-20100120789-A1 Compound STERIX LIMITED (GB) 2010-05-13 US disclosed
US-20100120789-A1 Compound STERIX LIMITED (GB) 2010-05-13 US disclosed
US-20090042929-A1 11-Beta-Hydroxysteroid Dehydrogenase Inhibitors STERIX LIMITED (GB) 2009-02-12 US disclosed
US-20090042929-A1 11-Beta-Hydroxysteroid Dehydrogenase Inhibitors STERIX LIMITED (GB) 2009-02-12 US disclosed
EP-1861384-A1 11-BETA-HYDROXYSTEROID DEHYDROGENASE INHIBITORS Sterix Limited (GB) 2007-12-05 EP disclosed
WO-2006100502-A1 11-BETA-HYDROXYSTEROID DEHYDROGENASE INHIBITORS STERIX LIMITED (GB) 2006-09-28 WO 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-20090042929-A1 11-Beta-Hydroxysteroid Dehydrogenase Inhibitors HSD3B1, HSD3B2, HSD11B1 P2RX7 3719/4885GAA 4508/4885MCL1 3373/4885
US-20100120789-A1 Compound NR0B2, NR0B1, NR4A1 P2RX7 991/4885GAA 4884/4885MCL1 2273/4885

“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.