SCHEMBL4783076

SCHEMBL4783076

CC(C)(C)OC(=O)N[C@@H](CO)Cc1ccc(Cl)cc1Cl

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.51
▸ TP53 P04637 2/20 0.51
▸ IDO1 P14902 2/20 0.50
▸ MC4R P32245 1/20 0.48
▸ AKT3 Q9Y243 1/20 0.46
▸ ALDH1A1 P00352 4/20 0.45
▸ HPGD P15428 3/20 0.45
▸ KDM4E B2RXH2 2/20 0.45
▸ GAA P10253 2/20 0.45
▸ MAPT P10636 2/20 0.45
▸ PKM P14618 1/20 0.45
▸ ALOX12 P18054 1/20 0.45
▸ HDAC8 Q9BY41 3/20 0.44
▸ HTT P42858 2/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ AAK1 Q2M2I8 1/20 0.43
▸ GLA P06280 1/20 0.43
▸ XBP1 P17861 1/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.43

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
SCHEMBL2524063 1.00 SMN1; SMN2 (0.51) SMN1; SMN2TP53IDO1MC4RAKT3
SCHEMBL2524061 1.00 SMN1; SMN2 (0.51) SMN1; SMN2TP53IDO1MC4RAKT3
SCHEMBL5758739 0.89 SMN1; SMN2 (0.50) SMN1; SMN2TP53IDO1MC4RALDH1A1
SCHEMBL17643623 0.88 AAK1 (0.44) SMN1; SMN2TP53IDO1MC4RALDH1A1
SCHEMBL2897780 0.88 SMN1; SMN2 (0.49) SMN1; SMN2TP53IDO1MC4RALDH1A1
SCHEMBL17513301 0.88 SMN1; SMN2 (0.49) SMN1; SMN2TP53IDO1MC4RALDH1A1
SCHEMBL1521458 0.88 SMN1; SMN2 (0.49) SMN1; SMN2TP53IDO1MC4RALDH1A1
SCHEMBL25152942 0.86 AAK1 (0.41) SMN1; SMN2TP53IDO1MC4RAKT3
SCHEMBL25152836 0.85 CTSL (0.41) SMN1; SMN2TP53MC4RAAK1CTSL
SCHEMBL25217019 0.85 ATM (0.49) MC4RMEN1KMT2AAAK1CTSL

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-20080242694-A1 Amino-substituted heterocycles, compositions thereof, and methods of treatment therewith D SIDOCKY NEIL R 2008-10-02 — — US disclosed
WO-2008036308-A2 AMINO-SUBSTITUTED HETEROCYCLES, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH SIGNAL PHARMACEUTICALS, LLC (US) 2008-03-27 — — 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-20080242694-A1 Amino-substituted heterocycles, compositions thereof, and methods of treatment therewith JAK2, CHEK2, MTOR SMN1; SMN2 3689/4885TP53 15/4885IDO1 419/4885

“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.

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