SCHEMBL2056680

SCHEMBL2056680

COc1cccc(-c2cc(C)c(N(C)C)c(-c3nc(C(=O)O)cs3)c2)c1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.46
HPGD P15428 1/20 0.46
EIF4E P06730 2/20 0.43
IRAK4 Q9NWZ3 1/20 0.43
CYP19A1 P11511 1/20 0.42
ACHE P22303 1/20 0.42
HSD17B1 P14061 1/20 0.42
HSD17B2 P37059 1/20 0.42
PIN1 Q13526 1/20 0.42
DHODH Q02127 1/20 0.41
PTGER1 P34995 1/20 0.41
CSNK2A1 P68400 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL2056678 0.82 ALDH1A1 (0.46) ALDH1A1HPGDEIF4EIRAK4CYP19A1
SCHEMBL5342437 0.82 ALDH1A1 (0.65) ALDH1A1HPGDEIF4EIRAK4CYP19A1
SCHEMBL26319825 0.75 ALDH1A1 (0.54) ALDH1A1EIF4EACHEPTGER1MEN1
SCHEMBL9823724 0.71 ALDH1A1 (0.63) ALDH1A1HPGDACHE
SCHEMBL4775930 0.71 ALDH1A1 (0.57) ALDH1A1HPGDPIN1DHODH
SCHEMBL5342686 0.70 SMN1; SMN2 (0.60) ALDH1A1HPGDIRAK4MEN1KMT2A
SCHEMBL9823776 0.70 CYP19A1 (0.56) ALDH1A1EIF4ECYP19A1ACHEPTGER1
SCHEMBL9823342 0.70 CYP1A1 (0.63) ALDH1A1HPGDIRAK4ACHECSNK2A1
SCHEMBL4601727 0.69 DHODH (0.59) ALDH1A1HPGDPIN1DHODH
SCHEMBL3957201 0.69 ALDH1A1 (0.69) ALDH1A1HPGDCYP19A1PTGER1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110105491-A1 THIAZOLIDINE COMPOUNDS AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD. (CH) 2011-05-05 US disclosed
WO-2010004507-A1 THIAZOLIDINE COMPOUNDS AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2010-01-14 WO 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-20110105491-A1 THIAZOLIDINE COMPOUNDS AS OREXIN RECEPTOR ANTAGONISTS HCRTR2, HCRTR1, OXTR ALDH1A1 690/4885HPGD 2597/4885EIF4E 2373/4885

“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.