SCHEMBL3719418

SCHEMBL3719418

O=C(c1csc(C2CCNCC2)c1)N1CCC[C@H]2CCCC[C@@H]21

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 8/20 0.57
POLB P06746 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
HSD17B1 P14061 1/20 0.43
CNR2 P34972 1/20 0.42
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
SLC18A3 Q16572 1/20 0.34
SIGMAR1 Q99720 1/20 0.34
PLAT P00750 1/20 0.34
SCD5 Q86SK9 1/20 0.34
EED O75530 1/20 0.34
RBBP4 Q09028 1/20 0.34
SUZ12 Q15022 1/20 0.34
EZH2 Q15910 1/20 0.34
AEBP2 Q6ZN18 1/20 0.34
L3MBTL3 Q96JM7 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL3799968 1.00 HSD11B1 (0.57) HSD11B1POLBTDP1HSD17B1CNR2
SCHEMBL3719420 1.00 HSD11B1 (0.57) HSD11B1POLBTDP1HSD17B1CNR2
SCHEMBL3805853 0.94 HSD11B1 (0.55) HSD11B1POLBTDP1HSD17B1CNR2
SCHEMBL3805852 0.94 HSD11B1 (0.55) HSD11B1POLBTDP1HSD17B1CNR2
SCHEMBL13124915 0.90 HSD11B1 (0.61) HSD11B1POLBTDP1HSD17B1CNR2
SCHEMBL13124545 0.89 HSD11B1 (0.54) HSD11B1POLBTDP1HSD17B1CNR2
SCHEMBL3792411 0.86 HSD11B1 (0.58) HSD11B1POLBTDP1HSD17B1CNR2
SCHEMBL13124826 0.86 HSD11B1 (0.58) HSD11B1POLBTDP1HSD17B1CNR2
SCHEMBL3865147 0.85 HSD11B1 (0.57) HSD11B1POLBTDP1HSD17B1CNR2
SCHEMBL3865150 0.85 HSD11B1 (0.57) HSD11B1POLBTDP1HSD17B1CNR2

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-8362008-B2 Amido-thiophene compounds and their use as 11-beta-HSD1 inhibitors THE UNIVERSITY OF EDINBURGH (GB) 2013-01-29 US disclosed
US-20100267696-A1 Amido-Thiophene Compounds and Their Use as 11-Beta-HSD1 Inhibitors THE UNIVERSITY OF EDINBURGH 2010-10-21 US disclosed
EP-2229374-A1 AMIDO-THIOPHENE COMPOUNDS AND THEIR USE AS 11-BETA-HSD1 INHIBITORS THE UNIVERSITY OF EDINBURGH (GB) 2010-09-22 EP disclosed
WO-2009074789-A1 AMIDO-THIOPHENE COMPOUNDS AND THEIR USE AS 11-BETA-HSD1 INHIBITORS THE UNIVERSITY OF EDINBURGH (GB) 2009-06-18 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-20100267696-A1 Amido-Thiophene Compounds and Their Use as 11-Beta-HSD1 Inhibitors HSD11B1, HSD11B2, HSD17B1 HSD11B1 1/4885POLB 3451/4885TDP1 643/4885

“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.