Sugi Predict

Sugi Predict / Compounds / SCHEMBL2073006

SCHEMBL2073006

SCHEMBL2073006

CC(C)(C)[Si](C)(C)OCCNS(=O)(=O)c1ccc(B(O)O)cc1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 13/20 0.43
▸ SMN1; SMN2 Q16637 5/20 0.43
▸ LMNA P02545 4/20 0.43
▸ HPGD P15428 2/20 0.43
▸ MAPT P10636 2/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ NPC1 O15118 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ HTT P42858 3/20 0.40
▸ ALOX15 P16050 1/20 0.40
▸ ENPP2 Q13822 1/20 0.40
▸ MAPK1 P28482 1/20 0.39
▸ TP53 P04637 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.38
▸ MEN1 O00255 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ PKM P14618 2/20 0.38
▸ POLB P06746 2/20 0.37
▸ TSHR P16473 1/20 0.36

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
SCHEMBL31180455 0.85 ALDH1A1 (0.59) ALDH1A1SMN1; SMN2LMNAHPGDMAPT
SCHEMBL31180466 0.83 CA12 (0.55) ALDH1A1SMN1; SMN2LMNAHPGDMAPT
SCHEMBL847885 0.81 ALDH1A1 (0.44) ALDH1A1SMN1; SMN2LMNAHPGDMAPT
SCHEMBL13866296 0.80 MEN1 (0.50) ALDH1A1SMN1; SMN2LMNAMAPTKDM4E
SCHEMBL385294 0.79 ALDH1A1 (0.69) ALDH1A1SMN1; SMN2LMNAHPGDMAPT
SCHEMBL23146420 0.78 ALDH1A1 (0.39) ALDH1A1SMN1; SMN2LMNAHPGDMAPT
SCHEMBL23146074 0.77 GAA (0.52) ALDH1A1SMN1; SMN2LMNAHPGDMAPT
SCHEMBL23146203 0.76 MAPK1 (0.42) ALDH1A1SMN1; SMN2LMNAHPGDMAPT
SCHEMBL7926321 0.74 CA12 (0.62) ALDH1A1SMN1; SMN2LMNAHPGDMAPT
SCHEMBL387555 0.73 ALDH1A1 (0.60) ALDH1A1SMN1; SMN2LMNAMAPTKDM4E

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-9249163-B2 PDE10a inhibitors for the treatment of type II diabetes JANSSEN PHARMACEUTICA NV. (BE) 2016-02-02 — — US disclosed
US-20140364414-A1 PDE 10a Inhibitors for the Treatment of Type II Diabetes JANSSEN PHARMACEUTICA, NV (BE) 2014-12-11 — — US disclosed
US-20110201581-A1 Novel Compounds 010 ASTRAZENECA AB (SE) 2011-08-18 — — US disclosed
US-7902181-B2 Compounds 010 ASTRAZENECA AB (SE) 2011-03-08 — — US disclosed
EP-2231597-A1 PEPTIDYL NITRILES AND USE THEREOF AS DIPEPTIDYL PEPTIDASE I INHIBITORS AstraZeneca AB (SE) 2010-09-29 — — EP disclosed
US-20090306042-A1 Novel Compounds 010 ASTRAZENECA AB (SE) 2009-12-10 — — US disclosed
WO-2009074829-A1 PEPTIDYL NITRILES AND USE THEREOF AS DIPEPTIDYL PEPTIDASE I INHIBITORS ASTRAZENECA AB (SE) 2009-06-18 — — 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 (3 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-20090306042-A1 Novel Compounds 010 MRGPRX2, F12, TBXA2R ALDH1A1 1620/4885SMN1; SMN2 1830/4885LMNA 2051/4885
US-20110201581-A1 Novel Compounds 010 MRGPRX2, F12, TBXA2R ALDH1A1 1620/4885SMN1; SMN2 1830/4885LMNA 2051/4885
US-20140364414-A1 PDE 10a Inhibitors for the Treatment of Type II Diabetes PDE2A, PDE3B, PDE3A ALDH1A1 381/4885SMN1; SMN2 3681/4885LMNA 1417/4885

“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.