SCHEMBL1770073

SCHEMBL1770073

O=C(Nc1nnc([S+]([O-])CC(=O)C23CC4CC(CC(C4)C2)C3)s1)C1CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 3/20 0.46
▸ RAB9A P51151 2/20 0.46
▸ MEN1 O00255 4/20 0.44
▸ KMT2A Q03164 4/20 0.44
▸ POLB P06746 2/20 0.43
▸ NTSR1 P30989 1/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.43
▸ GAA P10253 1/20 0.41
▸ ALDH1A1 P00352 2/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ CA12 O43570 1/20 0.40
▸ CA1 P00915 1/20 0.40
▸ CA2 P00918 1/20 0.40
▸ CA4 P22748 1/20 0.40
▸ CA6 P23280 1/20 0.40
▸ CA5A P35218 1/20 0.40
▸ CA7 P43166 1/20 0.40
▸ CA9 Q16790 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
SCHEMBL1770064 0.87 NPC1 (0.49) NPC1RAB9AMEN1KMT2APOLB
SCHEMBL1770330 0.80 HSD11B1 (0.58) NPC1RAB9AMEN1KMT2APOLB
SCHEMBL1770047 0.77 HSD11B1 (0.64) NPC1RAB9AMEN1KMT2ANTSR1
SCHEMBL1770268 0.74 HSD11B1 (0.65) NPC1RAB9AMEN1KMT2ACA12
SCHEMBL10349958 0.65 ALDH1A1 (0.42) MEN1KMT2AALDH1A1HSD11B1
SCHEMBL1769896 0.64 GRM5 (0.47) RAB9AMEN1KMT2ANPSR1GAA
SCHEMBL12648964 0.64 KMT2A (0.84) RAB9AMEN1KMT2AGAAALDH1A1
SCHEMBL1769893 0.64 CYP17A1 (0.48) MEN1KMT2AALDH1A1SMN1; SMN2HSD11B1
SCHEMBL1770128 0.64 HSD11B1 (0.69) NPC1RAB9AMEN1KMT2APOLB
SCHEMBL15727757 0.63 GLS (0.67) RAB9AMEN1KMT2APOLBGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110112151-A1 COMPOUND CAPABLE OF INHIBITING 11-BETA HYDROXYSTERIOD DEHYDROGENASE STERIX LIMITED (GB) 2011-05-12 — — US disclosed
US-20110112151-A1 COMPOUND CAPABLE OF INHIBITING 11-BETA HYDROXYSTERIOD DEHYDROGENASE STERIX LIMITED (GB) 2011-05-12 — — US disclosed
EP-2257528-A2 1 IBETA-HYDROXYSTEROID DEHYDROGENASE INHIBITORS Sterix Limited (GB) 2010-12-08 — — EP disclosed
WO-2009106817-A2 COMPOUND STERIX LIMITED (GB) 2009-09-03 — — 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 (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-20110112151-A1 COMPOUND CAPABLE OF INHIBITING 11-BETA HYDROXYSTERIOD DEHYDROGENASE HSD11B1, HSD11B2, HSD3B1 NPC1 1692/4885RAB9A 3505/4885MEN1 2644/4885

“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.

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