SCHEMBL17201602

SCHEMBL17201602

COC(=O)c1ccc(-c2ccnnc2C)s1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.42
LMNA P02545 2/20 0.42
PPARG P37231 1/20 0.42
NCOA2 Q15596 1/20 0.42
NCOA1 Q15788 1/20 0.42
NCOA3 Q9Y6Q9 1/20 0.42
IL2 P60568 2/20 0.41
HPGD P15428 5/20 0.40
CTSS P25774 1/20 0.39
CTSK P43235 1/20 0.39
TSHR P16473 1/20 0.38
MAPK1 P28482 1/20 0.38
ATM Q13315 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
ALDH1A1 P00352 4/20 0.37
NPC1 O15118 1/20 0.36
MAPT P10636 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
TDP1 Q9NUW8 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
SCHEMBL17201498 0.87 HPGD (0.54) HPGDALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL17201676 0.80 NPSR1 (0.42) NPSR1LMNAPPARGNCOA2NCOA1
SCHEMBL17201636 0.78 HPGD (0.44) NPSR1LMNAPPARGNCOA2NCOA1
SCHEMBL17201606 0.77 HPGD (0.45) NPSR1LMNAPPARGNCOA2NCOA1
SCHEMBL17201603 0.77 KDM4E (0.45) NPSR1LMNAPPARGNCOA2NCOA1
SCHEMBL1235256 0.76 LMNA (0.60) NPSR1LMNAPPARGNCOA2NCOA1
SCHEMBL6498557 0.75 DAO (0.52) NPSR1LMNAPPARGNCOA2NCOA1
SCHEMBL17208104 0.75 HDAC1 (0.46) NPSR1LMNAPPARGNCOA2NCOA1
SCHEMBL613187 0.73 ALDH1A1 (0.54) NPSR1LMNAPPARGNCOA2NCOA1
SCHEMBL29165231 0.73 IL2 (0.47) NPSR1LMNAPPARGNCOA2NCOA1

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-9725459-B2 3-oxo-tetrahydro-furo[3,2-B]pyrrol-4(5H)-yl) derivatives I GRUNENTHAL GMBH (DE) 2017-08-08 US disclosed
EP-3140309-A1 3-OXO-TETRAHYDRO-FURO[3,2-B]PYRROL-4(5H)-YL) DERIVATIVES I Grünenthal GmbH (DE) 2017-03-15 EP disclosed
WO-2015161928-A1 3-OXO-TETRAHYDRO-FURO[3,2-B]PYRROL-4(5H)-YL) DERIVATIVES I Grünenthal GmbH (DE) 2015-10-29 WO disclosed
US-20150307507-A1 3-OXO-TETRAHYDRO-FURO[3,2-B]PYRROL-4(5H)-YL) DERIVATIVES I Grünenthal GmbH (DE) 2015-10-29 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-20150307507-A1 3-OXO-TETRAHYDRO-FURO[3,2-B]PYRROL-4(5H)-YL) DERIVATIVES I CTSK, OPRK1, CAT NPSR1 583/4885LMNA 3359/4885PPARG 1648/4885

“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.