SCHEMBL5043763

SCHEMBL5043763

CCCCCCN(CC)C(=O)c1cc(-c2csc(C(=O)OCC)n2)n(CCCOC)c1C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.37
HPGD P15428 4/20 0.37
MAPT P10636 4/20 0.37
POLB P06746 1/20 0.37
GLA P06280 3/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
PLA2G4A P47712 1/20 0.33
GAA P10253 5/20 0.33
HSD17B10 Q99714 3/20 0.33
TSHR P16473 2/20 0.33
KDM4E B2RXH2 4/20 0.32
LMNA P02545 3/20 0.32
NPSR1 Q6W5P4 2/20 0.32
APAF1 O14727 1/20 0.32
NSD2 O96028 1/20 0.32
THRB P10828 1/20 0.32
CASP3 P42574 1/20 0.32
BLM P54132 1/20 0.32
SENP8 Q96LD8 1/20 0.32

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
SCHEMBL6069264 0.94 MEN1 (0.37) ALDH1A1MAPTPOLBGLAMEN1
SCHEMBL5039368 0.87 PLA2G4A (0.34) ALDH1A1MAPTPOLBPLA2G4ALMNA
SCHEMBL5043782 0.83 CTSK (0.36) ALDH1A1MAPTPLA2G4AKDM4ELMNA
SCHEMBL5039641 0.82 ALDH1A1 (0.52) ALDH1A1HPGDMAPTPOLBGLA
SCHEMBL5133265 0.81 ALDH1A1 (0.41) ALDH1A1HPGDPOLBGLAMEN1
SCHEMBL5043897 0.80 MAPT (0.41) ALDH1A1HPGDMAPTPOLBMEN1
SCHEMBL5043762 0.77 ALDH1A1 (0.43) ALDH1A1HPGDMAPTPOLBGLA
SCHEMBL5043901 0.75 MAPT (0.45) ALDH1A1HPGDMAPTPOLBMEN1
SCHEMBL5046982 0.74 TSHR (0.42) ALDH1A1MAPTMEN1KMT2AGAA
SCHEMBL5045868 0.72 TSHR (0.39) ALDH1A1HPGDMAPTPOLBGLA

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1583762-B1 PYRROLYL-THIAZOLES AND THEIR USE AS CB 1 RECEPTOR INVERSE AGONISTS HOFFMANN LA ROCHE (CH) 2008-07-09 EP disclosed
US-7135488-B2 Pyrrolyl-thiazole derivatives HOFFMANN-LA ROCHE INC. (US) 2006-11-14 US disclosed
US-20040147572-A1 Novel pyrrolyl-thiazole derivatives HOFFMAN-LA ROCHE INC. 2004-07-29 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-20040147572-A1 Novel pyrrolyl-thiazole derivatives CNR1, CNR2, NPY1R ALDH1A1 959/4885HPGD 2000/4885MAPT 3334/4885

“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.