SCHEMBL1770036

SCHEMBL1770036

Cn1cnnc1SCC(=O)C(C)(C)c1ccc(Cl)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
ALDH1A1 P00352 5/20 0.50
LMNA P02545 3/20 0.50
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
HSD17B10 Q99714 1/20 0.50
L3MBTL1 Q9Y468 2/20 0.48
KDM4E B2RXH2 2/20 0.47
MAPT P10636 1/20 0.47
GAA P10253 1/20 0.47
RAB9A P51151 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
KMT2A Q03164 3/20 0.47
ATM Q13315 2/20 0.46
POLB P06746 3/20 0.46
TSHR P16473 1/20 0.46
MEN1 O00255 1/20 0.45

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
SCHEMBL1770050 0.80 ALDH1A1 (0.64) TP53SMN1; SMN2ALDH1A1LMNAHSD17B10
SCHEMBL17131937 0.74 ALDH1A1 (0.69) SMN1; SMN2ALDH1A1LMNACYP1A2CYP3A4
SCHEMBL1770195 0.73 HSD11B1 (0.54) TP53SMN1; SMN2ALDH1A1LMNACYP1A2
SCHEMBL2491894 0.72 L3MBTL1 (0.62) ALDH1A1LMNACYP1A2CYP3A4CYP2C9
SCHEMBL1770305 0.71 HSD11B1 (0.55) TP53SMN1; SMN2ALDH1A1LMNACYP1A2
SCHEMBL5717624 0.70 L3MBTL1 (0.57) ALDH1A1LMNACYP1A2CYP3A4CYP2C9
SCHEMBL10401966 0.68 L3MBTL1 (0.55) ALDH1A1LMNACYP1A2CYP3A4CYP2C9
SCHEMBL14027531 0.68 POLB (0.77) TP53SMN1; SMN2ALDH1A1LMNAL3MBTL1
SCHEMBL13804791 0.67 FDFT1 (0.51) TP53SMN1; SMN2ALDH1A1LMNAL3MBTL1
SCHEMBL3530774 0.67 FDFT1 (0.51) TP53SMN1; SMN2ALDH1A1LMNAL3MBTL1

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 6 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
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
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 TP53 4033/4885SMN1; SMN2 2765/4885ALDH1A1 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.