SCHEMBL17201498

SCHEMBL17201498

Cc1nnccc1-c1ccc(C(=O)O)s1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.54
KDM4E B2RXH2 3/20 0.46
MKNK1 Q9BUB5 1/20 0.45
MKNK2 Q9HBH9 1/20 0.45
DAO P14920 1/20 0.44
ALDH1A1 P00352 5/20 0.44
TDP1 Q9NUW8 1/20 0.43
GAA P10253 2/20 0.43
POLB P06746 2/20 0.43
RAB9A P51151 2/20 0.43
NPC1 O15118 1/20 0.43
GLA P06280 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42

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
SCHEMBL17201602 0.87 NPSR1 (0.42) HPGDKDM4EALDH1A1TDP1POLB
SCHEMBL17201694 0.78 HPGD (0.54) HPGDKDM4EMKNK1MKNK2DAO
Hydrochloric Acid SCHEMBL17201615 0.73 HPGD (0.59) HPGDKDM4EMKNK1MKNK2DAO
SCHEMBL17201611 0.72 KDM4E (0.63) HPGDKDM4EMKNK1MKNK2DAO
SCHEMBL6487220 0.72 DAO (0.76) HPGDKDM4EMKNK1MKNK2DAO
SCHEMBL12076008 0.72 HPGD (0.62) HPGDKDM4EMKNK1MKNK2DAO
SCHEMBL593023 0.71 MEN1 (0.65) HPGDKDM4EMKNK1MKNK2DAO
SCHEMBL20370914 0.71 DAO (0.73) HPGDKDM4EMKNK1MKNK2DAO
SCHEMBL24573211 0.70 HPGD (0.65) HPGDKDM4EDAOALDH1A1TDP1
SCHEMBL5924735 0.70 HPGD (1.00) HPGDKDM4EDAOALDH1A1TDP1

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 HPGD 614/4885KDM4E 997/4885MKNK1 1172/4885

“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.