SCHEMBL4586922

SCHEMBL4586922

CCOC(=O)c1[nH]c2ccc(NS(=O)(=O)c3ccc(C(C)(C)C)cc3)cc2c1-c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.56
CYP1A2 P05177 2/20 0.56
CYP2C19 P33261 2/20 0.56
HPGD P15428 2/20 0.56
XBP1 P17861 1/20 0.56
HIF1A Q16665 2/20 0.56
BRD4 O60885 1/20 0.55
SERPINE1 P05121 1/20 0.52
TP53 P04637 5/20 0.50
MAPT P10636 5/20 0.50
THRB P10828 2/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
AURKA O14965 1/20 0.47
AURKB Q96GD4 1/20 0.47
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
POLB P06746 2/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47

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
Dimethylamine SCHEMBL4923606 0.98 ALDH1A1 (0.55) ALDH1A1CYP1A2CYP2C19HPGDXBP1
SCHEMBL5151934 0.95 ALDH1A1 (0.56) ALDH1A1CYP1A2CYP2C19HPGDXBP1
SCHEMBL4922707 0.93 HIF1A (0.56) ALDH1A1CYP1A2CYP2C19HPGDXBP1
SCHEMBL4929352 0.92 HIF1A (0.54) ALDH1A1CYP1A2CYP2C19HPGDXBP1
SCHEMBL4926673 0.91 ALDH1A1 (0.55) ALDH1A1CYP1A2CYP2C19HPGDXBP1
SCHEMBL4932283 0.91 HIF1A (0.54) ALDH1A1CYP1A2CYP2C19HPGDXBP1
SCHEMBL4929144 0.91 HIF1A (0.52) ALDH1A1CYP1A2CYP2C19HPGDXBP1
SCHEMBL4931705 0.91 ALDH1A1 (0.55) ALDH1A1CYP1A2CYP2C19HPGDXBP1
SCHEMBL4927908 0.91 HIF1A (0.54) ALDH1A1CYP1A2CYP2C19HPGDXBP1
SCHEMBL3943097 0.91 BRD4 (0.52) ALDH1A1CYP1A2CYP2C19HPGDXBP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7449459-B2 Inhibitors of soluble adenylate cyclase BAYER SCHERING PHARMA AG (DE) 2008-11-11 US disclosed
US-7449459-B2 Inhibitors of soluble adenylate cyclase BAYER SCHERING PHARMA AG (DE) 2008-11-11 US disclosed
US-7449459-B2 Inhibitors of soluble adenylate cyclase BAYER SCHERING PHARMA AG (DE) 2008-11-11 US disclosed
US-20080004268-A1 INHIBITORS OF SOLUBLE ADENYLATE CYCLASE NGUYEN DUY 2008-01-03 US disclosed
US-20070232605-A1 Inhibitors of soluble adenylate cyclase BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2007-10-04 US disclosed
US-20070232605-A1 Inhibitors of soluble adenylate cyclase BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2007-10-04 US disclosed
US-20070232605-A1 Inhibitors of soluble adenylate cyclase BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2007-10-04 US disclosed
WO-2007107383-A1 INDOLE DERIVATIVES AS INHIBITORS OF THE SOLUBLE ADENYLATE CYCLASE BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2007-09-27 WO disclosed
US-20060074084-A1 Inhibitors of soluble adenylate cyclase BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2006-04-06 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-20080004268-A1 INHIBITORS OF SOLUBLE ADENYLATE CYCLASE ADCY1, ADCY2, ADCY5 ALDH1A1 268/4885CYP1A2 1151/4885CYP2C19 1003/4885
US-20070232605-A1 Inhibitors of soluble adenylate cyclase ADCY1, ADCY2, ADCYAP1R1 ALDH1A1 235/4885CYP1A2 1068/4885CYP2C19 936/4885
US-20060074084-A1 Inhibitors of soluble adenylate cyclase ADCY1, ADCY2, ADCY5 ALDH1A1 268/4885CYP1A2 1151/4885CYP2C19 1003/4885

“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.