SCHEMBL4931052

SCHEMBL4931052

CC(C)(C)c1ccc(S(=O)(=O)Nc2ccc3[nH]c(C(=O)O)c(-c4ccsc4)c3c2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.52
PTPN5 P54829 1/20 0.49
GPR35 Q9HC97 1/20 0.49
SERPINE1 P05121 1/20 0.46
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
ALDH1A1 P00352 3/20 0.43
MAPT P10636 2/20 0.43
UQCRB P14927 2/20 0.43
HDAC3 O15379 2/20 0.43
HDAC11 Q96DB2 2/20 0.43
HDAC8 Q9BY41 2/20 0.43
HDAC6 Q9UBN7 2/20 0.43
CYP1A2 P05177 2/20 0.42
CYP2C19 P33261 2/20 0.42
POLB P06746 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
GAA P10253 1/20 0.42

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
SCHEMBL3945167 0.88 BRD4 (0.61) BRD4PTPN5SERPINE1MEN1KMT2A
SCHEMBL3949114 0.88 BRD4 (0.53) BRD4PTPN5SERPINE1MEN1KMT2A
SCHEMBL4077703 0.87 PTPN5 (0.45) BRD4PTPN5GPR35SERPINE1MEN1
Dimethylamine SCHEMBL4931369 0.87 BRD4 (0.59) BRD4PTPN5SERPINE1MEN1KMT2A
SCHEMBL3947323 0.87 BRD4 (0.54) BRD4PTPN5SERPINE1MEN1KMT2A
SCHEMBL4930867 0.87 UQCRB (0.56) BRD4PTPN5GPR35SERPINE1MEN1
SCHEMBL4933597 0.86 GPR35 (0.53) BRD4PTPN5GPR35SERPINE1MEN1
SCHEMBL3946651 0.86 BRD4 (0.53) BRD4PTPN5GPR35SERPINE1MEN1
SCHEMBL4933945 0.85 MAPT (0.59) BRD4PTPN5SERPINE1MEN1KMT2A
SCHEMBL4922521 0.84 BRD4 (0.54) BRD4PTPN5SERPINE1MEN1KMT2A

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
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 3928/4885PTPN5 1567/4885GPR35 566/4885
US-20060074084-A1 Inhibitors of soluble adenylate cyclase ADCY1, ADCY2, ADCY5 BRD4 3928/4885PTPN5 1567/4885GPR35 566/4885

“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.