Sugi Predict

Sugi Predict / Compounds / SCHEMBL3700930

SCHEMBL3700930

SCHEMBL3700930

CCOC(=O)/C(=C\N[C@H](CO)CC(C)C)C(=O)c1cc(Br)cnc1Cl

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPSR1 Q6W5P4 4/20 0.37
▸ GPR35 Q9HC97 1/20 0.34
▸ CNR2 P34972 1/20 0.34
▸ OPRK1 P41145 5/20 0.33
▸ MAPK1 P28482 3/20 0.33
▸ MAPT P10636 4/20 0.33
▸ MEN1 O00255 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ S1PR4 O95977 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ S1PR1 P21453 1/20 0.33
▸ GAA P10253 3/20 0.32
▸ RXFP1 Q9HBX9 1/20 0.32
▸ CYP1A2 P05177 2/20 0.32
▸ CYP3A4 P08684 2/20 0.32
▸ CYP2C19 P33261 2/20 0.32
▸ ALDH1A1 P00352 2/20 0.32
▸ KDM4E B2RXH2 2/20 0.32
▸ HPGD P15428 1/20 0.32
▸ NPY1R P25929 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
SCHEMBL3700934 1.00 NPSR1 (0.37) NPSR1GPR35CNR2OPRK1MAPK1
SCHEMBL3696231 0.88 CNR2 (0.34) CNR2CNR1TAS1R3TAS1R1AAK1
SCHEMBL3696232 0.88 CNR2 (0.34) CNR2CNR1TAS1R3TAS1R1AAK1
SCHEMBL3707402 0.80 NPSR1 (0.43) NPSR1GPR35OPRK1MAPK1MAPT
SCHEMBL3707407 0.80 NPSR1 (0.43) NPSR1GPR35OPRK1MAPK1MAPT
SCHEMBL3503053 0.77 MEN1 (0.32) NPSR1MAPK1MAPTMEN1KMT2A
SCHEMBL12107893 0.76 NPSR1 (0.44) NPSR1CNR2OPRK1MAPK1MAPT
SCHEMBL3694140 0.76 NPSR1 (0.40) NPSR1GPR35OPRK1MAPK1MAPT
SCHEMBL20240759 0.76 NPSR1 (0.40) NPSR1GPR35OPRK1MAPK1MAPT
SCHEMBL3694142 0.76 NPSR1 (0.40) NPSR1GPR35OPRK1MAPK1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8569484-B2 Heterocyclic urea derivatives and methods of use thereof ASTRAZENECA AB (SE) 2013-10-29 — — US disclosed
US-8569484-B2 Heterocyclic urea derivatives and methods of use thereof ASTRAZENECA AB (SE) 2013-10-29 — — US disclosed
US-8569484-B2 Heterocyclic urea derivatives and methods of use thereof ASTRAZENECA AB (SE) 2013-10-29 — — US disclosed
US-20120122817-A1 HETEROCYCLIC UREA DERIVATIVES AND METHODS OF USE THEREOF ASTRAZENECA AB (SE) 2012-05-17 — — US disclosed
US-20120122817-A1 HETEROCYCLIC UREA DERIVATIVES AND METHODS OF USE THEREOF ASTRAZENECA AB (SE) 2012-05-17 — — US disclosed
US-20120122817-A1 HETEROCYCLIC UREA DERIVATIVES AND METHODS OF USE THEREOF ASTRAZENECA AB (SE) 2012-05-17 — — US disclosed
WO-2010136817-A1 HETEROCYCLIC UREA DERIVATIVES AND METHODS OF USE THEREOF ASTRAZENECA AB (SE) 2010-12-02 — — 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-20120122817-A1 HETEROCYCLIC UREA DERIVATIVES AND METHODS OF USE THEREOF UROD, UMPS, SLC14A1 NPSR1 3406/4885GPR35 2275/4885CNR2 1386/4885

“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.