SCHEMBL1769922

SCHEMBL1769922

O=C(C[S+]([O-])Cc1ccccn1)C12CC3CC(CC(C3)C1)C2

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 3/20 0.53
ALDH1A1 P00352 4/20 0.49
KDM4E B2RXH2 2/20 0.49
P2RX7 Q99572 2/20 0.48
RAB9A P51151 2/20 0.43
MAPT P10636 1/20 0.43
AGTR1 P30556 1/20 0.43
OPRK1 P41145 1/20 0.43
RECQL P46063 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
GRM5 P41594 2/20 0.42
TSHR P16473 1/20 0.41
MAPK1 P28482 1/20 0.41
EPHX2 P34913 1/20 0.41
LMNA P02545 1/20 0.41
HTT P42858 1/20 0.41
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
GRM1 Q13255 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
SCHEMBL1769896 0.81 GRM5 (0.47) HSD11B1ALDH1A1KDM4EP2RX7RAB9A
SCHEMBL1769926 0.78 CYP17A1 (0.52) HSD11B1ALDH1A1KDM4EP2RX7SMN1; SMN2
SCHEMBL1769997 0.77 HSD11B1 (0.60) HSD11B1ALDH1A1P2RX7TSHRLMNA
SCHEMBL3321013 0.74 HSD11B1 (0.60) HSD11B1ALDH1A1KDM4EP2RX7RAB9A
SCHEMBL1770138 0.74 ALDH1A1 (0.56) HSD11B1ALDH1A1KDM4EP2RX7RAB9A
SCHEMBL1769931 0.74 HSD11B1 (0.55) HSD11B1ALDH1A1KDM4EP2RX7RAB9A
SCHEMBL10349958 0.74 ALDH1A1 (0.42) HSD11B1ALDH1A1KDM4ETSHRLMNA
SCHEMBL1770371 0.74 ALDH1A1 (0.40) HSD11B1ALDH1A1KDM4EP2RX7RAB9A
SCHEMBL3324604 0.73 POLB (0.55) HSD11B1ALDH1A1MAPTNPSR1TSHR
SCHEMBL3321305 0.73 HSD11B1 (0.54) HSD11B1ALDH1A1KDM4ELMNACYP3A4

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 307/4885KDM4E 1739/4885

“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.