Sugi Predict

Sugi Predict / Compounds / SCHEMBL2695302

SCHEMBL2695302

SCHEMBL2695302

Cc1ccc(Cc2ccc(-c3ccc(C)cc3S(=O)(=O)OCC(C)(C)C)c(S(=O)(=O)OCC(C)(C)C)c2)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 3/20 0.36
▸ CA2 P00918 3/20 0.36
▸ CA9 Q16790 3/20 0.36
▸ CA12 O43570 1/20 0.35
▸ KCNH2 Q12809 2/20 0.34
▸ ALDH1A1 P00352 3/20 0.34
▸ MAPT P10636 3/20 0.34
▸ KMT2A Q03164 3/20 0.34
▸ HTT P42858 2/20 0.34
▸ KDM4E B2RXH2 2/20 0.34
▸ F2 P00734 2/20 0.34
▸ XBP1 P17861 1/20 0.34
▸ CA4 P22748 1/20 0.34
▸ MEN1 O00255 2/20 0.33
▸ LMNA P02545 1/20 0.33
▸ PKM P14618 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ ALOX12 P18054 1/20 0.33
▸ STAT3 P40763 1/20 0.33
▸ SMN1; SMN2 Q16637 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
SCHEMBL822941 0.89 HTT (0.45) CA1CA2CA9CA12KCNH2
SCHEMBL822650 0.89 KMT2A (0.37) CA1CA2CA9CA12ALDH1A1
SCHEMBL2697429 0.86 POLB (0.39) CA1CA2CA9KCNH2ALDH1A1
SCHEMBL822794 0.86 HTT (0.43) CA1CA2CA9CA12KCNH2
SCHEMBL822953 0.84 HTT (0.41) CA1CA2CA9CA12KCNH2
SCHEMBL13598293 0.81 HTT (0.39) KCNH2ALDH1A1MAPTKMT2AHTT
SCHEMBL822860 0.80 SRD5A2 (0.35) KCNH2ALDH1A1MAPTKMT2AHTT
SCHEMBL2695288 0.80 POLB (0.31) POLB
SCHEMBL13058873 0.80 ALDH1A1 (0.35) ALDH1A1MAPTKMT2AHTTKDM4E
SCHEMBL11922093 0.80 MAPT (0.36) CA1CA2CA9CA12KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8236920-B2 Polyarylene and process for producing the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-08-07 — — US disclosed
US-8088883-B2 Transition metal complex and process for producing conjugated aromatic compound using the transition metal complex SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-01-03 — — US disclosed
US-20110046336-A1 TRANSITION METAL COMPLEX AND PROCESS FOR PRODUCING CONJUGATED AROMATIC COMPOUND USING THE TRANSITION METAL COMPLEX SUMITOMO CHEMICAL COMPANY, LIMITED 2011-02-24 — — US disclosed
US-20100292481-A1 METHOD FOR PRODUCING CONJUGATED AROMATIC COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED 2010-11-18 — — US disclosed
US-20090326188-A1 Method for producing polyarylene SUMITOMO CHEMICAL COMPANY, LIMITED 2009-12-31 — — US disclosed
US-20090036632-A1 Polyarylene and Process for Producing the Same SUMITOMO CHEMICAL COMPANY, LIMITED 2009-02-05 — — 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 (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-20110046336-A1 TRANSITION METAL COMPLEX AND PROCESS FOR PRODUCING CONJUGATED AROMATIC COMPOUND USING THE TRANSITION METAL COMPLEX C9, C5, AP1M1 CA1 1511/4885CA2 1054/4885CA9 621/4885
US-20090036632-A1 Polyarylene and Process for Producing the Same CYP1A1, CYP1B1, C1R CA1 3110/4885CA2 3996/4885CA9 3414/4885
US-20100292481-A1 METHOD FOR PRODUCING CONJUGATED AROMATIC COMPOUND TYR, PAH, AHR CA1 1168/4885CA2 1086/4885CA9 370/4885

“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.