SCHEMBL4587982

SCHEMBL4587982

CC(C)(C)c1ccc(S(=O)(=O)Nc2ccc3[nH]c(CCC(=O)NCCN4CCOCC4)c(-c4ccccc4)c3c2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SERPINE1 P05121 1/20 0.45
BRD4 O60885 1/20 0.44
HTR6 P50406 2/20 0.43
ALDH1A1 P00352 3/20 0.42
CYP1A2 P05177 2/20 0.42
CYP2D6 P10635 2/20 0.42
CYP2C9 P11712 2/20 0.42
CYP2C19 P33261 2/20 0.42
CYP3A4 P08684 1/20 0.42
POLB P06746 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
CA1 P00915 2/20 0.40
CA2 P00918 2/20 0.40
CA9 Q16790 2/20 0.40
TSHR P16473 1/20 0.40
LMNA P02545 1/20 0.39
EPHX2 P34913 1/20 0.39
HSD17B10 Q99714 1/20 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
SCHEMBL3943840 0.88 ALDH1A1 (0.47) SERPINE1BRD4HTR6ALDH1A1CYP1A2
SCHEMBL3941985 0.85 ALDH1A1 (0.46) SERPINE1BRD4HTR6ALDH1A1CYP1A2
SCHEMBL3948275 0.84 ALDH1A1 (0.48) SERPINE1BRD4HTR6ALDH1A1CYP1A2
SCHEMBL5151439 0.84 ALDH1A1 (0.49) SERPINE1HTR6ALDH1A1CYP1A2CYP2D6
SCHEMBL4588607 0.84 SERPINE1 (0.44) SERPINE1BRD4HTR6ALDH1A1CYP1A2
SCHEMBL4588618 0.84 SERPINE1 (0.44) SERPINE1BRD4HTR6ALDH1A1CYP1A2
SCHEMBL3951748 0.82 ALDH1A1 (0.45) SERPINE1BRD4HTR6ALDH1A1CYP1A2
SCHEMBL3947208 0.82 ALDH1A1 (0.47) SERPINE1BRD4HTR6ALDH1A1CYP1A2
SCHEMBL3943632 0.82 ALDH1A1 (0.47) SERPINE1BRD4HTR6ALDH1A1CYP1A2
SCHEMBL3952555 0.82 ALDH1A1 (0.47) SERPINE1BRD4HTR6ALDH1A1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2001846-A1 INDOLE DERIVATIVES AS INHIBITORS OF THE SOLUBLE ADENYLATE CYCLASE Bayer Schering Pharma Aktiengesellschaft (DE) 2008-12-17 EP claimed
US-7449459-B2 Inhibitors of soluble adenylate cyclase BAYER SCHERING PHARMA AG (DE) 2008-11-11 US claimed
US-20070232605-A1 Inhibitors of soluble adenylate cyclase BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2007-10-04 US claimed
WO-2007107383-A1 INDOLE DERIVATIVES AS INHIBITORS OF THE SOLUBLE ADENYLATE CYCLASE BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2007-09-27 WO claimed
EP-2001846-A1 INDOLE DERIVATIVES AS INHIBITORS OF THE SOLUBLE ADENYLATE CYCLASE Bayer Schering Pharma Aktiengesellschaft (DE) 2008-12-17 EP 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-7449459-B2 Inhibitors of soluble adenylate cyclase BAYER SCHERING PHARMA AG (DE) 2008-11-11 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
WO-2007107383-A1 INDOLE DERIVATIVES AS INHIBITORS OF THE SOLUBLE ADENYLATE CYCLASE BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2007-09-27 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 (1 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-20070232605-A1 Inhibitors of soluble adenylate cyclase ADCY1, ADCY2, ADCYAP1R1 SERPINE1 623/4885BRD4 3944/4885HTR6 1696/4885

“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.