SCHEMBL6879341

SCHEMBL6879341

COc1ccccc1-c1nc(-c2cc(C(=O)O)c(C)n2CC2CCCCC2)cs1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EIF4E P06730 3/20 0.45
NOTUM Q6P988 1/20 0.40
TACR3 P29371 2/20 0.40
CYP19A1 P11511 1/20 0.40
SHMT2 P34897 2/20 0.40
DHODH Q02127 1/20 0.39
CDC25A P30304 1/20 0.39
CDC25B P30305 1/20 0.39
CDC25C P30307 1/20 0.39
DUSP3 P51452 1/20 0.39
PTGER4 P35408 1/20 0.38
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
HPGD P15428 1/20 0.37
HSD17B10 Q99714 1/20 0.37
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
HPGDS O60760 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CPT1A P50416 1/20 0.37

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
SCHEMBL6879732 0.88 NOTUM (0.42) EIF4ENOTUMPTGER4NPC1RAB9A
SCHEMBL5043491 0.88 EIF4E (0.43) EIF4ENOTUMKDM4ENPC1RAB9A
SCHEMBL6877134 0.87 ALDH1A1 (0.48) EIF4ENOTUMCDC25ACDC25BCDC25C
SCHEMBL5049131 0.86 HTR2A (0.44) NPC1RAB9ASMN1; SMN2
SCHEMBL5039301 0.85 CDC25A (0.49) EIF4ENOTUMCDC25ACDC25BCDC25C
SCHEMBL6881410 0.84 EIF4E (0.49) EIF4ECYP19A1CDC25ACDC25BCDC25C
SCHEMBL6881069 0.84 CYP1A1 (0.44) EIF4ENOTUMCDC25ACDC25BCDC25C
SCHEMBL6872874 0.83 NOTUM (0.42) EIF4ENOTUMTACR3CPT1A
SCHEMBL6879620 0.83 NOTUM (0.44) EIF4ENOTUMCDC25ACDC25BCDC25C
SCHEMBL6871844 0.82 NOTUM (0.46) NOTUMKDM4ENPC1RAB9ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 EIF4E 2174/4885NOTUM 1360/4885TACR3 100/4885

“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.