SCHEMBL1770064

SCHEMBL1770064

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 3/20 0.49
▸ RAB9A P51151 2/20 0.49
▸ KMT2A Q03164 4/20 0.47
▸ MEN1 O00255 3/20 0.47
▸ POLB P06746 1/20 0.46
▸ NTSR1 P30989 1/20 0.46
▸ NPSR1 Q6W5P4 1/20 0.46
▸ HSD11B1 P28845 2/20 0.42
▸ 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
▸ CA13 Q8N1Q1 1/20 0.40
▸ CA14 Q9ULX7 1/20 0.40
▸ CA5B Q9Y2D0 1/20 0.40
▸ GLS O94925 1/20 0.38

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
SCHEMBL1770073 0.87 NPC1 (0.46) NPC1RAB9AKMT2AMEN1POLB
SCHEMBL1770330 0.84 HSD11B1 (0.58) NPC1RAB9AKMT2AMEN1POLB
SCHEMBL1770128 0.76 HSD11B1 (0.69) NPC1RAB9AKMT2AMEN1POLB
SCHEMBL1770485 0.73 HSD11B1 (0.70) NPC1RAB9AKMT2AMEN1POLB
SCHEMBL3323123 0.72 ALDH1A1 (0.53) NPC1KMT2APOLBCA12CA9
SCHEMBL18656665 0.68 SMN1; SMN2 (0.50) NPC1RAB9AKMT2AMEN1POLB
SCHEMBL1770354 0.66 MEN1 (0.42) NPC1KMT2AMEN1HSD11B1CNR2
SCHEMBL25197939 0.66 ALDH1A1 (0.44) HSD11B1
SCHEMBL3323577 0.65 RAB9A (0.43) RAB9AKMT2AMEN1POLBNPSR1
SCHEMBL10349958 0.65 ALDH1A1 (0.42) KMT2AMEN1HSD11B1

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 2 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

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 3505/4885KMT2A 2328/4885

“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.

Send feedback