SCHEMBL17201522

SCHEMBL17201522

CCc1cc(-c2ccc(C(=O)OC)s2)cnn1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSS P25774 1/20 0.42
CTSK P43235 1/20 0.42
NPSR1 Q6W5P4 2/20 0.41
HPGD P15428 2/20 0.41
TSHR P16473 1/20 0.41
MAPK1 P28482 1/20 0.41
ATM Q13315 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
KDM4E B2RXH2 4/20 0.40
SMN1; SMN2 Q16637 4/20 0.40
ALDH1A1 P00352 3/20 0.40
GAA P10253 3/20 0.40
NPC1 O15118 2/20 0.40
GLA P06280 2/20 0.40
POLB P06746 1/20 0.40
RAB9A P51151 1/20 0.40
LMNA P02545 2/20 0.38
ERN1 O75460 2/20 0.38
PPARG P37231 1/20 0.38
NCOA2 Q15596 1/20 0.38

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
Hydrochloric Acid SCHEMBL17201537 0.87 ALDH1A1 (0.50) CTSSCTSKHPGDKDM4ESMN1; SMN2
SCHEMBL17201539 0.83 KDM4E (0.45) CTSSCTSKNPSR1HPGDTSHR
SCHEMBL17201687 0.82 KDM4E (0.41) NPSR1HPGDTSHRMAPK1ATM
SCHEMBL17201670 0.81 CDC7 (0.48) CTSSCTSKNPSR1HPGDTSHR
SCHEMBL17208104 0.76 HDAC1 (0.46) NPSR1HPGDTSHRMAPK1ATM
SCHEMBL6477476 0.74 KDM4E (0.58) NPSR1HPGDTSHRMAPK1ATM
SCHEMBL17201571 0.73 ALDH1A1 (0.52) CTSSCTSKHPGDKDM4ESMN1; SMN2
SCHEMBL17208107 0.72 HSD17B1 (0.56) CTSSCTSKNPSR1HPGDKDM4E
SCHEMBL19892312 0.72 MKNK1 (0.50) NPSR1HPGDTSHRMAPK1ATM
SCHEMBL1235256 0.72 LMNA (0.60) NPSR1HPGDTSHRMAPK1ATM

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 CTSS 33/4885CTSK 1/4885NPSR1 583/4885

“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.