SCHEMBL1769971

SCHEMBL1769971

O=C(CSCc1ccc(Cl)nc1)C12CC3CC(CC(C3)C1)C2

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.44
ALDH1A1 P00352 7/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HSD11B1 P28845 4/20 0.40
LMNA P02545 1/20 0.40
PTGES O14684 1/20 0.40
NPSR1 Q6W5P4 2/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
CYP17A1 P05093 2/20 0.39
CYP19A1 P11511 2/20 0.39
KDM4E B2RXH2 1/20 0.39
HPGD P15428 1/20 0.39
PPARG P37231 1/20 0.39
NCOA2 Q15596 1/20 0.39
NCOA1 Q15788 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
NCOA3 Q9Y6Q9 1/20 0.39

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
SCHEMBL13688884 0.86 EPHX1 (0.41) EPHX1ALDH1A1NPC1RAB9A
SCHEMBL3321817 0.84 ALDH1A1 (0.48) ALDH1A1SMN1; SMN2LMNANPSR1NPC1
SCHEMBL1769988 0.83 DAO (0.42) ALDH1A1SMN1; SMN2HSD11B1LMNAPTGES
SCHEMBL1770095 0.80 HSD11B1 (0.62) ALDH1A1HSD11B1LMNACYP17A1CYP19A1
SCHEMBL1769928 0.79 CYP17A1 (0.55) ALDH1A1SMN1; SMN2HSD11B1LMNACYP17A1
SCHEMBL13689115 0.78 DAO (0.40) ALDH1A1HSD11B1LMNA
SCHEMBL1770121 0.76 ALDH1A1 (0.43) ALDH1A1SMN1; SMN2HSD11B1NPSR1NPC1
SCHEMBL3322239 0.75 MEN1 (0.48) EPHX1ALDH1A1HSD11B1LMNAPTGES
SCHEMBL6084424 0.75 P2RX7 (0.52) ALDH1A1LMNANPSR1
SCHEMBL1770371 0.75 ALDH1A1 (0.40) ALDH1A1SMN1; SMN2HSD11B1LMNANPSR1

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 EPHX1 376/4885ALDH1A1 307/4885SMN1; SMN2 2765/4885

“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.