SCHEMBL17201636

SCHEMBL17201636

COC(=O)c1ccc(-c2cc(Cl)nnc2C)s1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.44
ALDH1A1 P00352 4/20 0.44
LMNA P02545 3/20 0.40
NPSR1 Q6W5P4 2/20 0.40
PPARG P37231 1/20 0.40
NCOA2 Q15596 1/20 0.40
NCOA1 Q15788 1/20 0.40
NCOA3 Q9Y6Q9 1/20 0.40
IL2 P60568 2/20 0.39
MRGPRX4 Q96LA9 1/20 0.38
ERN1 O75460 1/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
TSHR P16473 1/20 0.37
MAPK1 P28482 1/20 0.37
ATM Q13315 1/20 0.37
TDP1 Q9NUW8 1/20 0.36
KDM4E B2RXH2 2/20 0.36
POLB P06746 2/20 0.36
HSD17B10 Q99714 1/20 0.36
CSNK2A2 P19784 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
SCHEMBL17201676 0.86 NPSR1 (0.42) HPGDALDH1A1LMNANPSR1PPARG
SCHEMBL17201602 0.78 NPSR1 (0.42) HPGDALDH1A1LMNANPSR1PPARG
SCHEMBL17201687 0.76 KDM4E (0.41) HPGDALDH1A1LMNANPSR1PPARG
SCHEMBL1235256 0.74 LMNA (0.60) HPGDALDH1A1LMNANPSR1PPARG
SCHEMBL497921 0.73 ESR2 (0.63) HPGDALDH1A1LMNANPSR1PPARG
SCHEMBL6498557 0.73 DAO (0.52) HPGDALDH1A1LMNANPSR1PPARG
SCHEMBL17201694 0.73 HPGD (0.54) HPGDALDH1A1TDP1KDM4EPOLB
SCHEMBL2414233 0.73 HPGD (0.54) HPGDALDH1A1LMNANPSR1PPARG
SCHEMBL2085767 0.72 ESR1 (0.61) HPGDALDH1A1LMNANPSR1PPARG
SCHEMBL17201606 0.71 HPGD (0.45) HPGDALDH1A1LMNANPSR1PPARG

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-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
EP-3134414-A1 3-OXO-TETRAHYDRO-FURO[3,2-B]PYRROL-4(5H)-YL) DERIVATIVES II Grünenthal GmbH (DE) 2017-03-01 EP disclosed
WO-2015161924-A1 3-OXO-TETRAHYDRO-FURO[3,2-B]PYRROL-4(5H)-YL) DERIVATIVES II Grünenthal GmbH (DE) 2015-10-29 WO 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 HPGD 614/4885ALDH1A1 886/4885LMNA 3359/4885

“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.