SCHEMBL4588422

SCHEMBL4588422

CC(C)(C)c1ccc(S(=O)(=O)Nc2ccc3[nH]c(/C=C/C(=O)NC4CCOCC4)c(-c4cccc(F)c4)c3c2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.42
SERPINE1 P05121 1/20 0.40
DYRK1A Q13627 1/20 0.39
HDAC1 Q13547 2/20 0.39
AURKA O14965 2/20 0.37
AURKB Q96GD4 2/20 0.37
ALDH1A1 P00352 4/20 0.37
LMNA P02545 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
MEN1 O00255 2/20 0.37
POLB P06746 2/20 0.37
KMT2A Q03164 2/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
UQCRB P14927 1/20 0.36
RORC P51449 1/20 0.35
DRD2 P14416 1/20 0.35

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
SCHEMBL4588427 1.00 BRD4 (0.42) BRD4SERPINE1DYRK1AHDAC1AURKA
SCHEMBL4587776 0.92 BRD4 (0.47) BRD4SERPINE1HDAC1AURKAAURKB
SCHEMBL4587780 0.92 BRD4 (0.47) BRD4SERPINE1HDAC1AURKAAURKB
SCHEMBL4588284 0.90 BRD4 (0.41) BRD4SERPINE1HDAC1AURKAAURKB
SCHEMBL4588279 0.90 BRD4 (0.41) BRD4SERPINE1HDAC1AURKAAURKB
SCHEMBL3941992 0.86 DYRK1A (0.45) BRD4SERPINE1DYRK1AALDH1A1LMNA
SCHEMBL4588609 0.85 ALDH1A1 (0.41) BRD4SERPINE1ALDH1A1MEN1KMT2A
SCHEMBL4588597 0.85 ALDH1A1 (0.41) BRD4SERPINE1ALDH1A1MEN1KMT2A
SCHEMBL3951262 0.84 BRD4 (0.43) BRD4SERPINE1DYRK1AALDH1A1LMNA
SCHEMBL4589154 0.83 AURKA (0.47) BRD4SERPINE1HDAC1AURKAAURKB

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 8 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-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

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 BRD4 3944/4885SERPINE1 623/4885DYRK1A 3989/4885

“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.