SCHEMBL3944355

SCHEMBL3944355

CC(C)(C)c1ccc(S(=O)(=O)Nc2ccc3[nH]c(C(=O)NCCN4CCOCC4)c(-c4ccccc4F)c3c2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.45
CYP1A2 P05177 3/20 0.45
CYP2D6 P10635 3/20 0.45
CYP2C9 P11712 3/20 0.45
CYP2C19 P33261 3/20 0.45
CYP3A4 P08684 2/20 0.45
BRD4 O60885 1/20 0.44
KDM4E B2RXH2 1/20 0.43
PKM P14618 1/20 0.43
MAPK1 P28482 1/20 0.43
WNT1 P04628 1/20 0.43
DYRK1A Q13627 1/20 0.43
KDM4C Q9H3R0 1/20 0.42
APOBEC3G Q9HC16 1/20 0.42
HTR6 P50406 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
EPHX2 P34913 3/20 0.41
BCL3 P20749 1/20 0.40
MEN1 O00255 1/20 0.40
POLB P06746 1/20 0.40

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
SCHEMBL3943287 0.94 WNT1 (0.49) ALDH1A1CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL3945241 0.93 ALDH1A1 (0.48) ALDH1A1CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL3952005 0.92 ALDH1A1 (0.45) ALDH1A1CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL3942621 0.92 ALDH1A1 (0.45) ALDH1A1CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL3945336 0.91 ALDH1A1 (0.46) ALDH1A1CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL3943840 0.90 ALDH1A1 (0.47) ALDH1A1CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL3945322 0.89 ALDH1A1 (0.50) ALDH1A1CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL3946035 0.89 L3MBTL1 (0.46) ALDH1A1CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL3944936 0.88 ALDH1A1 (0.44) ALDH1A1CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL3943828 0.88 ALDH1A1 (0.48) ALDH1A1CYP1A2CYP2D6CYP2C9CYP2C19

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 ALDH1A1 268/4885CYP1A2 1151/4885CYP2D6 1811/4885

“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.