Sugi Predict

Sugi Predict / Compounds / SCHEMBL5405571

SCHEMBL5405571

SCHEMBL5405571

C[CH]c1ccccc1SCC

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.33
▸ ADRA2A P08913 2/20 0.33
▸ ADRA2B P18089 2/20 0.33
▸ ADRA2C P18825 2/20 0.33
▸ ADRA1D P25100 2/20 0.33
▸ ADRA1A P35348 2/20 0.33
▸ ADRA1B P35368 2/20 0.33
▸ LMNA P02545 2/20 0.33
▸ HTT P42858 2/20 0.33
▸ RXFP1 Q9HBX9 2/20 0.33
▸ S100A4 P26447 2/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ ATM Q13315 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ GLA P06280 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ MAP2K7 O14733 1/20 0.33
▸ CDC25A P30304 1/20 0.33
▸ CDC25B P30305 1/20 0.33
▸ MEN1 O00255 1/20 0.33

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
SCHEMBL24076446 0.83 BACE1 (0.33) ALDH1A1ADRA2AADRA2BADRA2CADRA1D
SCHEMBL7463832 0.83 PTGS2 (0.45) ALDH1A1HTTNPC1MEN1KMT2A
SCHEMBL3682084 0.81 ALDH1A1 (0.40) ALDH1A1ADRA2AADRA2BADRA2CADRA1D
SCHEMBL2801460 0.81 LMNA (0.48) ALDH1A1LMNAHTTRXFP1S100A4
SCHEMBL9793625 0.78 S100A4 (0.41) ALDH1A1ADRA2AADRA2BADRA2CADRA1D
SCHEMBL7318894 0.78 BACE1 (0.32) ALDH1A1ADRA2AADRA2BADRA2CADRA1D
SCHEMBL7318891 0.78 BACE1 (0.32) ALDH1A1ADRA2AADRA2BADRA2CADRA1D
SCHEMBL7756773 0.76 HPGD (0.41) ALDH1A1LMNAHTTNPC1KDM4E
SCHEMBL7756778 0.76 HPGD (0.41) ALDH1A1LMNAHTTNPC1KDM4E
SCHEMBL4800076 0.75 ALOX5 (0.43) ALDH1A1LMNAHTTRXFP1KDM4E

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-7291730-B2 Pyrimidine compounds and their use SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2007-11-06 — — US disclosed
US-20050107609-A1 Pyrimidine compounds and their use SUMITOMO CHEMICAL COMPANY 2005-05-19 — — US disclosed
US-6838463-B2 Pyrimidine compounds and their use SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2005-01-04 — — US disclosed
EP-1366026-B1 PYRIMIDINE COMPOUNDS AND THEIR USE AS PESTICIDES SUMITOMO CHEMICAL CO (JP) 2004-12-01 — — EP disclosed
US-20040077669-A1 Pyrimidine compounds and their use SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2004-04-22 — — US disclosed
EP-1366026-A2 PYRIMIDINE COMPOUNDS AND THEIR USE SUMITOMO CHEMICAL COMPANY LIMITED (JP) 2003-12-03 — — EP disclosed
WO-2002024663-A2 PYRIMIDINE COMPOUNDS AND THEIR USE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2002-03-28 — — 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 (2 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-20050107609-A1 Pyrimidine compounds and their use TYMP, TYMS, UMPS ALDH1A1 783/4885ADRA2A 2713/4885ADRA2B 2309/4885
US-20040077669-A1 Pyrimidine compounds and their use TYMP, TYMS, DPYD ALDH1A1 654/4885ADRA2A 2917/4885ADRA2B 2370/4885

“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.