Sugi Predict

Sugi Predict / Compounds / SCHEMBL1222136

SCHEMBL1222136

SCHEMBL1222136

CN1CCN(c2cc(N3CCOCC3)cn3c(=O)c(OCc4ccccc4)c(-c4ncc(Cc5ccc(F)cc5)[nH]4)nc23)S1(=O)=O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 13/20 0.35
▸ CYP1A2 P05177 12/20 0.35
▸ HSD17B10 Q99714 10/20 0.35
▸ CASP1 P29466 10/20 0.35
▸ CASP7 P55210 10/20 0.35
▸ USP2 O75604 9/20 0.35
▸ HIF1A Q16665 8/20 0.35
▸ CYP2C19 P33261 6/20 0.35
▸ GLA P06280 1/20 0.35
▸ TSHR P16473 4/20 0.34
▸ MAPK1 P28482 4/20 0.34
▸ MEN1 O00255 8/20 0.33
▸ KMT2A Q03164 8/20 0.33
▸ LMNA P02545 3/20 0.33
▸ CYP2C9 P11712 3/20 0.33
▸ BRD4 O60885 1/20 0.33
▸ CYP3A4 P08684 5/20 0.32
▸ ESR1 P03372 1/20 0.32
▸ NR3C1 P04150 1/20 0.32
▸ PGR P06401 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
SCHEMBL12894432 0.90 CASP1 (0.32) ALDH1A1CYP1A2HSD17B10CASP1CASP7
SCHEMBL1221745 0.88 ALDH1A1 (0.33) ALDH1A1CYP1A2HSD17B10CASP1CASP7
SCHEMBL1221947 0.87 ALDH1A1 (0.35) ALDH1A1CYP1A2HSD17B10CASP1CASP7
SCHEMBL1222501 0.86 USP2 (0.35) ALDH1A1CYP1A2HSD17B10CASP1CASP7
SCHEMBL12880831 0.86 ALDH1A1 (0.37) ALDH1A1CYP1A2HSD17B10CASP1CASP7
SCHEMBL1221141 0.86 USP2 (0.35) ALDH1A1CYP1A2HSD17B10CASP1CASP7
SCHEMBL1222478 0.83 USP2 (0.34) ALDH1A1CYP1A2HSD17B10CASP1CASP7
SCHEMBL1222152 0.82 PIK3CG (0.33) ALDH1A1CYP1A2HSD17B10CASP1CASP7
Trifluoroacetic Acid SCHEMBL1221959 0.82 USP2 (0.35) ALDH1A1CYP1A2HSD17B10CASP1CASP7
SCHEMBL14749235 0.82 BRD4 (0.32) ALDH1A1BRD4PIK3CAMAPTRECQL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2759544-A1 Compounds having antiviral properties Avexa Limited (AU) 2014-07-30 — — EP disclosed
EP-2212324-B1 COMPOUNDS HAVING ANTIVIRAL PROPERTIES AVEXA LTD (AU) 2014-03-26 — — EP disclosed
US-8563562-B2 Compounds having antiviral properties AVEXA LIMITED (AU) 2013-10-22 — — US disclosed
US-20130059865-A1 COMPOUNDS HAVING ANTIVIRAL PROPERTIES AVEXA LIMITED (AU) 2013-03-07 — — US disclosed
US-8318732-B2 Compounds having antiviral properties AVEXA LIMITED (AU) 2012-11-27 — — US disclosed
US-20110039842-A1 COMPOUNDS HAVING ANTIVIRAL PROPERTIES AVEXA LIMITED (AU) 2011-02-17 — — US disclosed
EP-2212324-A1 COMPOUNDS HAVING ANTIVIRAL PROPERTIES Avexa Limited (AU) 2010-08-04 — — EP disclosed
WO-2010000032-A1 COMPOUNDS HAVING ANTIVIRAL PROPERTIES AVEXA LIMITED (AU) 2010-01-07 — — 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-20110039842-A1 COMPOUNDS HAVING ANTIVIRAL PROPERTIES ZC3HAV1, ACE, EIF2AK2 ALDH1A1 702/4885CYP1A2 680/4885HSD17B10 1342/4885
US-20130059865-A1 COMPOUNDS HAVING ANTIVIRAL PROPERTIES ZC3HAV1, ACE, EIF2AK2 ALDH1A1 702/4885CYP1A2 680/4885HSD17B10 1342/4885

“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.