Sugi Predict

Sugi Predict / Compounds / SCHEMBL4124528

SCHEMBL4124528

SCHEMBL4124528

O=S(=O)(c1ccccc1)n1c(-c2cc(O)n[nH]2)cc2ccccc21

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 3/20 0.53
▸ CA9 Q16790 3/20 0.53
▸ CA2 P00918 1/20 0.53
▸ RECQL P46063 1/20 0.49
▸ ALDH1A1 P00352 2/20 0.46
▸ LMNA P02545 2/20 0.46
▸ MAPT P10636 1/20 0.46
▸ ACLY P53396 3/20 0.44
▸ SRC P12931 2/20 0.43
▸ ATR Q13535 2/20 0.42
▸ ATRIP Q8WXE1 2/20 0.42
▸ CREBBP Q92793 1/20 0.41
▸ NOD1 Q9Y239 2/20 0.41
▸ CXCL8 P10145 1/20 0.41
▸ CCR2 P41597 1/20 0.40
▸ HDAC3 O15379 2/20 0.39
▸ HDAC4 P56524 2/20 0.39
▸ HDAC1 Q13547 2/20 0.39
▸ HDAC7 Q8WUI4 2/20 0.39
▸ HDAC2 Q92769 2/20 0.39

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
SCHEMBL13650114 0.81 CA12 (0.52) CA12CA9CA2RECQLALDH1A1
SCHEMBL3558164 0.76 CA12 (0.78) CA12CA9CA2RECQLALDH1A1
SCHEMBL28059442 0.74 CA12 (0.55) CA12CA9CA2RECQLALDH1A1
SCHEMBL6993208 0.73 CA12 (0.58) CA12CA9CA2RECQLALDH1A1
SCHEMBL30035312 0.72 CA12 (0.53) CA12CA9CA2RECQLALDH1A1
SCHEMBL4119607 0.71 BCL2 (0.46) CA12CA9CA2RECQLALDH1A1
SCHEMBL25455031 0.71 CA12 (0.58) CA12CA9CA2RECQLALDH1A1
SCHEMBL14577242 0.71 CA12 (0.49) CA12CA9CA2RECQLALDH1A1
SCHEMBL1177272 0.70 CA12 (0.58) CA12CA9CA2RECQLALDH1A1
SCHEMBL3563271 0.70 CA12 (0.56) CA12CA9CA2RECQLALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090253697-A1 Novel Indole Derivatives, Preparation Thereof as Medicinal Products and Pharmaceutical Compositions, and Especially as KDR Inhibitors AVENTIS PHARMA S.A. (FR) 2009-10-08 — — US disclosed
EP-1633738-A2 NOVEL INDOLE DERIVATIVES, METHOD OF PREPARING SAME IN THE FORM OF MEDICAMENTS, PHARMACEUTICAL COMPOSITIONS AND, IN PARTICULAR, KDR INHIBITORS Aventis Pharma S.A. (FR) 2006-03-15 — — EP disclosed
US-20040242559-A1 Novel indole derivatives, preparation thereof as medicinal products and pharmaceutical compositions, and especially as KDR inhibitors AVENTIS PHARMA S.A. (FR) 2004-12-02 — — US disclosed
WO-2004096792-A2 NOVEL INDOLE DERIVATIVES, METHOD OF PREPARING SAME IN THE FORM OF MEDICAMENTS, PHARMACEUTICAL COMPOSITIONS AND, IN PARTICULAR, KDR INHIBITORS AVENTIS PHARMA S.A. (FR) 2004-11-11 — — 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-20040242559-A1 Novel indole derivatives, preparation thereof as medicinal products and pharmaceutical compositions, and especially as KDR inhibitors FLT4, KDR, CYP3A4 CA12 4264/4885CA9 3016/4885CA2 2280/4885
US-20090253697-A1 Novel Indole Derivatives, Preparation Thereof as Medicinal Products and Pharmaceutical Compositions, and Especially as KDR Inhibitors KDR, FLT1, FLT4 CA12 4824/4885CA9 4314/4885CA2 3425/4885

“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.