SCHEMBL3574249

SCHEMBL3574249

COc1cc(C(=O)O)cc2c1CCN2C(=O)OC(C)(C)C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.45
UCHL1 P09936 2/20 0.44
USP30 Q70CQ3 1/20 0.44
CHRM4 P08173 1/20 0.44
DRD2 P14416 1/20 0.44
HTR7 P34969 1/20 0.44
CA12 O43570 2/20 0.42
CA1 P00915 2/20 0.42
CA2 P00918 2/20 0.42
CA4 P22748 2/20 0.42
CA6 P23280 2/20 0.42
CA7 P43166 2/20 0.42
CA9 Q16790 2/20 0.42
CA14 Q9ULX7 2/20 0.42
CA3 P07451 1/20 0.42
PKM P14618 1/20 0.42
CA5A P35218 1/20 0.42
CA5B Q9Y2D0 1/20 0.42
PTGS2 P35354 1/20 0.40
GPR119 Q8TDV5 3/20 0.40

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
SCHEMBL3583236 0.89 UCHL1 (0.56) NOTUMUCHL1USP30CHRM4DRD2
SCHEMBL3904844 0.78 NOTUM (0.49) NOTUMUCHL1USP30CHRM4DRD2
SCHEMBL30550495 0.76 UCHL1 (0.51) NOTUMUCHL1USP30CHRM4DRD2
SCHEMBL1270523 0.76 CHRM4 (0.50) NOTUMCHRM4DRD2HTR7GPR119
SCHEMBL29939759 0.76 CHRM4 (0.50) NOTUMCHRM4DRD2HTR7GPR119
SCHEMBL19260109 0.76 UCHL1 (0.70) NOTUMUCHL1USP30CHRM4DRD2
SCHEMBL19260045 0.74 USP30 (0.62) UCHL1USP30GPR119HDAC1HDAC6
SCHEMBL31161834 0.74 UCHL1 (0.48) NOTUMUCHL1USP30CHRM4DRD2
SCHEMBL380505 0.74 DHODH (0.49) NOTUMCHRM4DRD2HTR7GPR119
SCHEMBL30527088 0.74 DHODH (0.49) NOTUMCHRM4DRD2HTR7GPR119

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-1926711-B1 NOVEL HETEROBICYCLIC DERIVATIVES USEFUL AS INHIBITORS OF LIVER CARNITINE PALMITOYL TRANSFERASE HOFFMANN LA ROCHE (CH) 2012-11-07 EP disclosed
US-7713996-B2 Indolyl derivatives which are L-CPT1 inhibitors HOFFMANN-LA ROCHE INC. (US) 2010-05-11 US disclosed
US-20070060567-A1 Novel indolyl derivatives which are L-CPT1 inhibitors F. HOFFMANN-LA ROCHE AG, A SWISS COMPANY (CH) 2007-03-15 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-20070060567-A1 Novel indolyl derivatives which are L-CPT1 inhibitors CPT1A, CPT1B, CPT2 NOTUM 867/4885UCHL1 1694/4885USP30 2765/4885

“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.