SCHEMBL3943097

SCHEMBL3943097

CC(C)(C)c1ccc(S(=O)(=O)Nc2ccc3[nH]c(C(=O)OCC(N)=O)c(-c4ccccc4)c3c2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.52
SERPINE1 P05121 1/20 0.50
PKM P14618 1/20 0.46
HIF1A Q16665 1/20 0.45
CA1 P00915 3/20 0.45
CA2 P00918 3/20 0.45
ALDH1A1 P00352 2/20 0.45
CYP1A2 P05177 2/20 0.45
CYP2C19 P33261 2/20 0.45
CA12 O43570 1/20 0.45
CA4 P22748 1/20 0.45
CA6 P23280 1/20 0.45
CA5A P35218 1/20 0.45
CA7 P43166 1/20 0.45
CA9 Q16790 1/20 0.45
CA14 Q9ULX7 1/20 0.45
CA5B Q9Y2D0 1/20 0.45
HPGD P15428 1/20 0.45
XBP1 P17861 1/20 0.45
AURKA O14965 3/20 0.44

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
SCHEMBL3945126 0.92 BRD4 (0.47) BRD4SERPINE1PKMHIF1ACA1
SCHEMBL3946272 0.91 PKM (0.49) BRD4SERPINE1PKMHIF1ACA1
SCHEMBL4586922 0.91 ALDH1A1 (0.56) BRD4SERPINE1HIF1ACA1CA2
SCHEMBL3949325 0.90 BRD4 (0.46) BRD4SERPINE1PKMHIF1ACA1
Dimethylamine SCHEMBL4923606 0.89 ALDH1A1 (0.55) BRD4SERPINE1HIF1ACA1CA2
SCHEMBL3947039 0.89 SERPINE1 (0.49) BRD4SERPINE1HIF1ACA1CA2
SCHEMBL3945167 0.86 BRD4 (0.61) BRD4SERPINE1CA1CA2ALDH1A1
SCHEMBL3951940 0.85 BRD4 (0.53) BRD4SERPINE1CA1CA2ALDH1A1
SCHEMBL5151934 0.85 ALDH1A1 (0.56) BRD4SERPINE1PKMHIF1ACA1
SCHEMBL3951018 0.85 BRD4 (0.52) BRD4SERPINE1CA1CA2ALDH1A1

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
EP-1802572-B1 INDOL DERIVATIVES AS INHIBITORS OF SOLUBLE ADENYLYL CYCLASE BAYER SCHERING PHARMA AG (DE) 2009-04-22 EP claimed
US-20060074084-A1 Inhibitors of soluble adenylate cyclase BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2006-04-06 US claimed
US-20080004268-A1 INHIBITORS OF SOLUBLE ADENYLATE CYCLASE NGUYEN DUY 2008-01-03 US 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 (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-20080004268-A1 INHIBITORS OF SOLUBLE ADENYLATE CYCLASE ADCY1, ADCY2, ADCY5 BRD4 3928/4885SERPINE1 688/4885PKM 2018/4885
US-20060074084-A1 Inhibitors of soluble adenylate cyclase ADCY1, ADCY2, ADCY5 BRD4 3928/4885SERPINE1 688/4885PKM 2018/4885

“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.