SCHEMBL1770330

SCHEMBL1770330

Cc1nnc([S+]([O-])CC(=O)C23CC4CC(CC(C4)C2)C3)s1

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ HSD11B1 P28845 3/20 0.58
▸ ALDH1A1 P00352 3/20 0.44
▸ NPC1 O15118 3/20 0.41
▸ RAB9A P51151 2/20 0.41
▸ MEN1 O00255 3/20 0.40
▸ KMT2A Q03164 3/20 0.40
▸ POLB P06746 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ NTSR1 P30989 1/20 0.39
▸ TSHR P16473 1/20 0.35
▸ CNR1 P21554 1/20 0.35

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 0.84 NPC1 (0.49) HSD11B1NPC1RAB9AMEN1KMT2A
SCHEMBL1770073 0.80 NPC1 (0.46) HSD11B1ALDH1A1NPC1RAB9AMEN1
SCHEMBL1770040 0.73 HSD11B1 (1.00) HSD11B1ALDH1A1NPC1RAB9AKMT2A
SCHEMBL1770354 0.72 MEN1 (0.42) HSD11B1ALDH1A1NPC1MEN1KMT2A
SCHEMBL25197939 0.72 ALDH1A1 (0.44) HSD11B1ALDH1A1TSHR
SCHEMBL3323577 0.71 RAB9A (0.43) HSD11B1ALDH1A1RAB9AMEN1KMT2A
SCHEMBL10349958 0.71 ALDH1A1 (0.42) HSD11B1ALDH1A1MEN1KMT2ATSHR
SCHEMBL1769896 0.71 GRM5 (0.47) HSD11B1ALDH1A1RAB9AMEN1KMT2A
SCHEMBL1770472 0.71 HSD11B1 (0.56) HSD11B1ALDH1A1MEN1KMT2ATSHR
SCHEMBL1769893 0.70 CYP17A1 (0.48) HSD11B1ALDH1A1MEN1KMT2A

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 3 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
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 HSD11B1 1/4885ALDH1A1 307/4885NPC1 1692/4885

“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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