Sugi Predict

Sugi Predict / Compounds / SCHEMBL3945495

SCHEMBL3945495

SCHEMBL3945495

COc1cccc(-c2c(C(=O)NC3CCOCC3)[nH]c3ccc(NS(=O)(=O)c4ccc(C(C)(C)C)cc4)cc23)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD17B10 Q99714 1/20 0.47
▸ SMN1; SMN2 Q16637 3/20 0.45
▸ TP53 P04637 2/20 0.45
▸ MAPT P10636 2/20 0.45
▸ POLB P06746 2/20 0.45
▸ BRD4 O60885 2/20 0.44
▸ CA1 P00915 1/20 0.43
▸ CA2 P00918 1/20 0.43
▸ ALDH1A1 P00352 4/20 0.40
▸ CYP1A2 P05177 2/20 0.40
▸ CYP2D6 P10635 2/20 0.40
▸ CYP2C9 P11712 2/20 0.40
▸ CYP2C19 P33261 2/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ LMNA P02545 3/20 0.40
▸ KCNA5 P22460 1/20 0.39
▸ SERPINE1 P05121 1/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ GAA P10253 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
SCHEMBL3944329 0.90 BRD4 (0.45) SMN1; SMN2MAPTPOLBBRD4CA1
SCHEMBL3946013 0.90 BRD4 (0.50) SMN1; SMN2MAPTPOLBBRD4CA1
SCHEMBL3941992 0.90 DYRK1A (0.45) SMN1; SMN2MAPTPOLBBRD4CA1
SCHEMBL3947328 0.89 HSD17B10 (0.44) HSD17B10SMN1; SMN2TP53MAPTPOLB
SCHEMBL4588279 0.87 BRD4 (0.41) HSD17B10SMN1; SMN2TP53MAPTPOLB
SCHEMBL4588284 0.87 BRD4 (0.41) HSD17B10SMN1; SMN2TP53MAPTPOLB
SCHEMBL3950530 0.86 DYRK1A (0.46) SMN1; SMN2POLBBRD4ALDH1A1CYP1A2
SCHEMBL3946815 0.86 BRD4 (0.45) SMN1; SMN2MAPTPOLBBRD4ALDH1A1
SCHEMBL5156828 0.86 CA1 (0.42) HSD17B10SMN1; SMN2TP53MAPTPOLB
SCHEMBL5151354 0.86 CA1 (0.45) SMN1; SMN2TP53MAPTPOLBBRD4

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 6 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-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
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 HSD17B10 1335/4885SMN1; SMN2 3909/4885TP53 4365/4885
US-20060074084-A1 Inhibitors of soluble adenylate cyclase ADCY1, ADCY2, ADCY5 HSD17B10 1335/4885SMN1; SMN2 3909/4885TP53 4365/4885

“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.