SCHEMBL4125434

SCHEMBL4125434

O=C(O)CC(=O)c1cc2ccccc2n1S(=O)(=O)c1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.58
LMNA P02545 1/20 0.58
MAPT P10636 1/20 0.58
CCR2 P41597 1/20 0.54
NOD2 Q9HC29 4/20 0.54
NOD1 Q9Y239 4/20 0.54
HDAC3 O15379 3/20 0.54
HDAC4 P56524 3/20 0.54
HDAC1 Q13547 3/20 0.54
HDAC7 Q8WUI4 3/20 0.54
HDAC2 Q92769 3/20 0.54
HDAC10 Q969S8 3/20 0.54
HDAC11 Q96DB2 3/20 0.54
HDAC8 Q9BY41 3/20 0.54
HDAC6 Q9UBN7 3/20 0.54
HDAC9 Q9UKV0 3/20 0.54
HDAC5 Q9UQL6 3/20 0.54
BCL2 P10415 1/20 0.48
BID P55957 1/20 0.48
MCL1 Q07820 1/20 0.48

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
SCHEMBL4118405 0.87 NOD2 (0.56) ALDH1A1LMNAMAPTCCR2NOD2
SCHEMBL6864420 0.84 ALDH1A1 (0.73) ALDH1A1LMNAMAPTCCR2NOD2
SCHEMBL4121234 0.84 CCR2 (0.72) ALDH1A1LMNAMAPTCCR2NOD2
SCHEMBL31599460 0.84 CCR2 (0.72) ALDH1A1LMNAMAPTCCR2NOD2
SCHEMBL11927321 0.84 NOD2 (0.58) ALDH1A1LMNAMAPTCCR2NOD2
SCHEMBL10002763 0.83 ALDH1A1 (0.55) ALDH1A1LMNAMAPTCCR2NOD2
Hydrochloric Acid SCHEMBL4119324 0.82 CCR2 (0.71) ALDH1A1LMNAMAPTCCR2NOD2
SCHEMBL3836440 0.81 ALDH1A1 (0.62) ALDH1A1LMNAMAPTCCR2NOD2
SCHEMBL3056166 0.81 ALDH1A1 (0.62) ALDH1A1LMNAMAPTCCR2NOD2
SCHEMBL9617940 0.81 NOD2 (0.64) ALDH1A1LMNAMAPTCCR2NOD2

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 2 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
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

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 ALDH1A1 1515/4885LMNA 4771/4885MAPT 4583/4885
US-20090253697-A1 Novel Indole Derivatives, Preparation Thereof as Medicinal Products and Pharmaceutical Compositions, and Especially as KDR Inhibitors KDR, FLT1, FLT4 ALDH1A1 326/4885LMNA 3126/4885MAPT 3747/4885

“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.