SCHEMBL1770050

SCHEMBL1770050

Cn1ccnc1SCC(=O)C(C)(C)c1ccc(Cl)cc1

nearest known ligand 0.64

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.64
RAB9A P51151 6/20 0.64
POLB P06746 5/20 0.64
NPC1 O15118 5/20 0.64
SMN1; SMN2 Q16637 3/20 0.64
KMT2A Q03164 5/20 0.55
TP53 P04637 2/20 0.54
MAPT P10636 2/20 0.49
MEN1 O00255 1/20 0.49
HPGD P15428 1/20 0.49
ALOX12 P18054 1/20 0.49
HSD17B10 Q99714 1/20 0.49
ALPL P05186 1/20 0.47
ALPG P10696 1/20 0.47
GAA P10253 1/20 0.46
KDM4E B2RXH2 1/20 0.46
LMNA P02545 1/20 0.46
RECQL P46063 1/20 0.46

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
SCHEMBL1770036 0.80 TP53 (0.53) ALDH1A1RAB9APOLBSMN1; SMN2KMT2A
SCHEMBL6203085 0.79 ALDH1A1 (0.97) ALDH1A1RAB9APOLBNPC1SMN1; SMN2
SCHEMBL1769927 0.73 ALDH1A1 (0.61) ALDH1A1RAB9APOLBNPC1SMN1; SMN2
SCHEMBL9805593 0.73 ALDH1A1 (0.61) ALDH1A1RAB9APOLBNPC1SMN1; SMN2
SCHEMBL3764555 0.72 RAB9A (0.60) ALDH1A1RAB9APOLBNPC1SMN1; SMN2
SCHEMBL14624712 0.72 ALDH1A1 (0.60) ALDH1A1RAB9APOLBNPC1SMN1; SMN2
SCHEMBL7930222 0.72 POLB (0.72) ALDH1A1RAB9APOLBNPC1SMN1; SMN2
SCHEMBL1770153 0.71 ALDH1A1 (0.59) ALDH1A1RAB9APOLBNPC1SMN1; SMN2
SCHEMBL1770056 0.71 ALDH1A1 (0.59) ALDH1A1RAB9APOLBNPC1SMN1; SMN2
SCHEMBL1770094 0.71 ALDH1A1 (0.58) ALDH1A1RAB9APOLBNPC1SMN1; SMN2

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 4 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
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 ALDH1A1 307/4885RAB9A 3505/4885POLB 1401/4885

“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.