SCHEMBL1769893

SCHEMBL1769893

O=C(C[S+]([O-])c1ccncc1)C12CC3CC(CC(C3)C1)C2

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CYP17A1 P05093 7/20 0.48
CYP19A1 P11511 6/20 0.48
ALDH1A1 P00352 2/20 0.48
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
HSD11B1 P28845 2/20 0.43
KDM4E B2RXH2 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL13689085 0.85 CYP17A1 (0.39) CYP17A1CYP19A1ALDH1A1MEN1KMT2A
SCHEMBL3323577 0.84 RAB9A (0.43) ALDH1A1MEN1KMT2AHSD11B1KDM4E
SCHEMBL3322670 0.83 P2RX7 (0.43) ALDH1A1HSD11B1KDM4ESMN1; SMN2
SCHEMBL1769926 0.81 CYP17A1 (0.52) CYP17A1CYP19A1ALDH1A1MEN1KMT2A
SCHEMBL1769896 0.78 GRM5 (0.47) ALDH1A1MEN1KMT2AHSD11B1KDM4E
SCHEMBL3323123 0.78 ALDH1A1 (0.53) ALDH1A1KMT2ASMN1; SMN2
SCHEMBL3322001 0.76 HSD11B1 (0.48) ALDH1A1KMT2AHSD11B1KDM4E
SCHEMBL1770354 0.76 MEN1 (0.42) ALDH1A1MEN1KMT2AHSD11B1KDM4E
SCHEMBL10349958 0.72 ALDH1A1 (0.42) ALDH1A1MEN1KMT2AHSD11B1KDM4E
SCHEMBL13688859 0.72 CYP17A1 (0.31) CYP17A1CYP19A1KDM4E

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 CYP17A1 23/4885CYP19A1 112/4885ALDH1A1 307/4885

“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.