SCHEMBL4014485

SCHEMBL4014485

CC(C)(C)OC(=O)N(c1ccc2c(c1)c(I)nn2C(=O)O)S(=O)(=O)c1ccccc1S(C)(=O)=O

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.31
THRB P10828 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
BRD4 O60885 1/20 0.30
TP53 P04637 1/20 0.30
F2 P00734 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
GSK3B P49841 1/20 0.30

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
SCHEMBL4004176 0.93 MAP2K4 (0.35) HSD11B1BRD4
SCHEMBL4006730 0.90 KMT2A (0.38) THRBSMN1; SMN2TP53F2NPSR1
SCHEMBL4014348 0.83 KMT2A (0.37) THRBSMN1; SMN2TP53F2NPSR1
SCHEMBL4014087 0.83 PTGER2 (0.33) THRBSMN1; SMN2TP53F2
SCHEMBL4003054 0.76 MAP2K4 (0.37) SMN1; SMN2F2
SCHEMBL27615267 0.75 KMT2A (0.36) THRBSMN1; SMN2TP53F2NPSR1
Tert-Butyl Formate SCHEMBL27615233 0.74 LRRK2 (0.31)
SCHEMBL4008345 0.72 MAPT (0.40) BRD4TP53
SCHEMBL4008201 0.70 NR1H2 (0.39) BRD4TP53GSK3B
SCHEMBL4006726 0.69 MAPT (0.42) BRD4

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-7473701-B2 Substituted indazoles, compositions containing them, method of production and use AVENTIS PHARMA S.A. (FR) 2009-01-06 US disclosed
US-20050059722-A1 Substituted indazoles, compositions containing them, method of production and use AVENTIS PHARMA S.A. (FR) 2005-03-17 US disclosed
US-6858638-B2 Substituted indazoles, compositions containing them, method of production and use AVENTIS PHARMA S.A. (FR) 2005-02-22 US disclosed
EP-1487803-A1 INDAZOLES SUBSTITUTED WITH AN ANTI-CANCEROUS ACTIVITY Aventis Pharma S.A. (FR) 2004-12-22 EP disclosed
US-20040106667-A1 Substituted indazoles, compositions containing them, method of production and use AVENTIS PHARMA S.A. (FR) 2004-06-03 US disclosed
WO-2003078402-A1 INDAZOLES SUBSTITUTED WITH AN ANTI-CANCEROUS ACTIVITY AVENTIS PHARMA S.A. (FR) 2003-09-25 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-20040106667-A1 Substituted indazoles, compositions containing them, method of production and use ABL1, CDK3, CILK1 HSD11B1 1494/4885THRB 2678/4885SMN1; SMN2 4557/4885
US-20050059722-A1 Substituted indazoles, compositions containing them, method of production and use ABL1, CDK3, CILK1 HSD11B1 1685/4885THRB 2661/4885SMN1; SMN2 4481/4885

“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.