SCHEMBL17201588

SCHEMBL17201588

CC(C)(C)OC(=O)c1ccc(-c2cc(Cl)cnn2)s1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.36
HPGD P15428 1/20 0.34
LMNA P02545 2/20 0.33
KMT2A Q03164 2/20 0.33
KDM4E B2RXH2 1/20 0.33
MAPT P10636 1/20 0.33
RAB9A P51151 1/20 0.33
GABRA1 P14867 7/20 0.33
GABRG2 P18507 7/20 0.33
GABRB3 P28472 7/20 0.33
GABRA3 P34903 7/20 0.33
GABRA5 P31644 6/20 0.33
GABRA2 P47869 6/20 0.33
GABRA6 Q16445 4/20 0.33
GABRA4 P48169 3/20 0.33
CCNC P24863 1/20 0.33
CDK8 P49336 1/20 0.33
GABRP O00591 1/20 0.33
GABRD O14764 1/20 0.33
GABRB1 P18505 1/20 0.33

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
SCHEMBL17201521 0.82 ALDH1A1 (0.34) ALDH1A1GABRA1GABRG2GABRB3GABRA3
SCHEMBL17201604 0.82 HDAC3 (0.44) ALDH1A1HPGDKMT2AKDM4EMAPT
SCHEMBL17201502 0.81 CTSS (0.39) ALDH1A1LMNARAB9AHDAC1
SCHEMBL17201629 0.81 ALDH1A1 (0.33) ALDH1A1
SCHEMBL14100232 0.73 AAK1 (0.41) ALDH1A1
SCHEMBL17201507 0.72 ALDH1A1 (0.35) ALDH1A1HPGDKDM4EMAPTRAB9A
SCHEMBL8549434 0.72 TSHR (0.44) ALDH1A1HPGDLMNAGABRA1GABRG2
SCHEMBL17201531 0.68 GRM6 (0.35) ALDH1A1HPGDHDAC1
SCHEMBL16942053 0.68 ALDH1A1 (0.39) ALDH1A1HPGDLMNAKMT2AGABRA1
SCHEMBL17201516 0.68 ERN1 (0.46) ALDH1A1HPGDKMT2AKDM4EMAPT

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 ALDH1A1 886/4885HPGD 614/4885LMNA 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.