SCHEMBL16817596

SCHEMBL16817596

COC(=O)C1CCCN1CC(=O)OC(C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FKBP1A P62942 2/20 0.43
LTA4H P09960 2/20 0.41
KLK5 Q9Y337 1/20 0.39
POLB P06746 1/20 0.39
ADRA1D P25100 1/20 0.39
ADRA1A P35348 1/20 0.39
ADRA1B P35368 1/20 0.39
PEPD P12955 2/20 0.38
HRH3 Q9Y5N1 1/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
HSD17B10 Q99714 2/20 0.36
ALDH1A1 P00352 2/20 0.36
XPNPEP1 Q9NQW7 1/20 0.36
PARP1 P09874 2/20 0.36
LMNA P02545 2/20 0.35
CYP2C19 P33261 1/20 0.35
GAA P10253 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35

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
SCHEMBL28510190 1.00 FKBP1A (0.43) FKBP1ALTA4HKLK5POLBADRA1D
SCHEMBL19022219 0.85 HSD17B10 (0.47) LTA4HPEPDHRH3SMN1; SMN2HSD17B10
SCHEMBL1912615 0.85 HSD17B10 (0.47) LTA4HPEPDHRH3SMN1; SMN2HSD17B10
SCHEMBL16817598 0.84 HSD17B10 (0.46) LTA4HPEPDHRH3SMN1; SMN2HSD17B10
Lithium Ion SCHEMBL16817597 0.82 HRH3 (0.38) HRH3SMN1; SMN2HSD17B10ALDH1A1LMNA
SCHEMBL933205 0.80 LTA4H (0.48) FKBP1ALTA4HPOLBADRA1DADRA1A
SCHEMBL3706911 0.80 LTA4H (0.48) FKBP1ALTA4HPOLBADRA1DADRA1A
SCHEMBL28510170 0.79 PEPD (0.41) FKBP1ALTA4HPOLBADRA1DADRA1A
SCHEMBL12788427 0.78 FKBP1A (0.47) FKBP1ALTA4HPOLBADRA1DADRA1A
SCHEMBL16480466 0.78 HRH3 (0.48) HRH3SMN1; SMN2ALDH1A1LMNAGAA

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9604977-B2 Bicyclic thiophenylamide compounds HOFFMAN-LA ROCHE INC. (US) 2017-03-28 US disclosed
US-9604977-B2 Bicyclic thiophenylamide compounds HOFFMAN-LA ROCHE INC. (US) 2017-03-28 US disclosed
US-9604977-B2 Bicyclic thiophenylamide compounds HOFFMAN-LA ROCHE INC. (US) 2017-03-28 US disclosed
EP-2861574-B1 NEW BICYCLIC THIOPHENYLAMIDE COMPOUNDS HOFFMANN LA ROCHE (CH) 2016-04-20 EP disclosed
EP-2861574-B1 NEW BICYCLIC THIOPHENYLAMIDE COMPOUNDS HOFFMANN LA ROCHE (CH) 2016-04-20 EP disclosed
US-20150175594-A1 NEW BICYCLIC THIOPHENYLAMIDE COMPOUNDS HOFFMANN-LA ROCHE INC. (US) 2015-06-25 US disclosed
US-20150175594-A1 NEW BICYCLIC THIOPHENYLAMIDE COMPOUNDS HOFFMANN-LA ROCHE INC. (US) 2015-06-25 US disclosed
US-20150175594-A1 NEW BICYCLIC THIOPHENYLAMIDE COMPOUNDS HOFFMANN-LA ROCHE INC. (US) 2015-06-25 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-20150175594-A1 NEW BICYCLIC THIOPHENYLAMIDE COMPOUNDS NAT1, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, BICRA FKBP1A 1587/4885LTA4H 952/4885KLK5 3455/4885

“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.