SCHEMBL3945245

SCHEMBL3945245

CC(C)(C)c1ccc(S(=O)(=O)Nc2ccc3[nH]c(C(=O)NCCc4cccc(Cl)c4)c(-c4ccccc4)c3c2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SERPINE1 P05121 1/20 0.51
CNR1 P21554 5/20 0.49
BRD4 O60885 1/20 0.47
RAB9A P51151 1/20 0.46
PTGS2 P35354 1/20 0.46
MAPT P10636 5/20 0.45
POLB P06746 4/20 0.45
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
MEN1 O00255 1/20 0.43
HTT P42858 1/20 0.43
KMT2A Q03164 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
IKBKB O14920 1/20 0.43
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA4 P22748 1/20 0.43
CA6 P23280 1/20 0.43
CA5A P35218 1/20 0.43

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
SCHEMBL3947203 0.93 SERPINE1 (0.54) SERPINE1CNR1BRD4RAB9APTGS2
SCHEMBL3949349 0.92 CNR1 (0.55) SERPINE1CNR1BRD4RAB9APTGS2
SCHEMBL3951586 0.92 SERPINE1 (0.53) SERPINE1CNR1BRD4MAPTPOLB
SCHEMBL3946949 0.88 SERPINE1 (0.49) SERPINE1CNR1BRD4RAB9AMAPT
SCHEMBL3951583 0.88 SERPINE1 (0.53) SERPINE1CNR1BRD4RAB9AMAPT
SCHEMBL3944919 0.87 SERPINE1 (0.49) SERPINE1CNR1BRD4RAB9AMAPT
SCHEMBL3951705 0.87 SERPINE1 (0.49) SERPINE1CNR1BRD4RAB9APOLB
SCHEMBL3942301 0.87 KMT2A (0.55) SERPINE1BRD4MAPTPOLBKDM4E
SCHEMBL3949722 0.86 BRD4 (0.54) SERPINE1BRD4MAPTPOLBKDM4E
SCHEMBL3943902 0.86 BRD4 (0.56) SERPINE1BRD4RAB9AMAPTPOLB

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 3 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-20080004268-A1 INHIBITORS OF SOLUBLE ADENYLATE CYCLASE NGUYEN DUY 2008-01-03 US disclosed
US-20080004268-A1 INHIBITORS OF SOLUBLE ADENYLATE CYCLASE NGUYEN DUY 2008-01-03 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 (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-20080004268-A1 INHIBITORS OF SOLUBLE ADENYLATE CYCLASE ADCY1, ADCY2, ADCY5 SERPINE1 688/4885CNR1 579/4885BRD4 3928/4885

“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.