SCHEMBL1769987

SCHEMBL1769987

O=C(CSc1ncccn1)C12CC3CC(CC(C3)C1)C2

nearest known ligand 0.70

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTGES O14684 1/20 0.57
ALDH1A1 P00352 6/20 0.57
HSD11B1 P28845 2/20 0.52
LMNA P02545 3/20 0.52
KMT2A Q03164 3/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
MAPT P10636 2/20 0.44
HTT P42858 2/20 0.43
MEN1 O00255 1/20 0.43
STAT6 P42226 1/20 0.43
HIF1A Q16665 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
TP53 P04637 1/20 0.43
HSD17B10 Q99714 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
SCHEMBL1770115 0.82 ALDH1A1 (0.54) PTGESALDH1A1HSD11B1LMNAKMT2A
SCHEMBL6085750 0.79 ALDH1A1 (0.58) PTGESALDH1A1HSD11B1LMNAKMT2A
SCHEMBL7418155 0.77 KDM4E (0.60) PTGESALDH1A1LMNAMAPTHTT
SCHEMBL1770376 0.77 HSD11B1 (0.54) PTGESALDH1A1HSD11B1LMNAKMT2A
Hydrochloric Acid SCHEMBL6093193 0.76 KDM4E (0.59) PTGESALDH1A1LMNAMAPTHTT
SCHEMBL1770138 0.75 ALDH1A1 (0.56) PTGESALDH1A1HSD11B1LMNASMN1; SMN2
SCHEMBL3320991 0.75 ALDH1A1 (0.68) ALDH1A1HSD11B1LMNAKMT2ASMN1; SMN2
SCHEMBL1770377 0.73 PTGES (0.64) PTGESALDH1A1LMNAKMT2ASMN1; SMN2
SCHEMBL1770030 0.73 PTGES (0.52) PTGESALDH1A1HSD11B1LMNAKMT2A
SCHEMBL3323219 0.72 HSD11B1 (0.52) PTGESALDH1A1HSD11B1LMNAKMT2A

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
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 PTGES 814/4885ALDH1A1 307/4885HSD11B1 1/4885

“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.