SCHEMBL3944883

SCHEMBL3944883

CC(C)(C)c1ccc(S(=O)(=O)Nc2ccc3[nH]c(C(=O)NCCN4CCOCC4)c(-c4ccc(C(F)(F)F)cc4)c3c2)cc1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CD274 Q9NZQ7 2/20 0.49
EPHX2 P34913 8/20 0.49
ALDH1A1 P00352 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
EGFR P00533 1/20 0.44
CDK2 P24941 1/20 0.44
HTR6 P50406 2/20 0.43
PTGS1 P23219 1/20 0.42
PTGS2 P35354 1/20 0.42
BRD4 O60885 1/20 0.42
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA9 Q16790 1/20 0.41

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
SCHEMBL3951748 0.93 ALDH1A1 (0.45) CD274EPHX2ALDH1A1CYP1A2CYP3A4
SCHEMBL3942340 0.93 ALDH1A1 (0.45) CD274EPHX2ALDH1A1CYP1A2CYP3A4
SCHEMBL3943840 0.93 ALDH1A1 (0.47) CD274EPHX2ALDH1A1CYP1A2CYP3A4
SCHEMBL3941698 0.92 ALDH1A1 (0.45) CD274EPHX2ALDH1A1CYP1A2CYP3A4
SCHEMBL3946035 0.91 L3MBTL1 (0.46) CD274EPHX2ALDH1A1CYP1A2CYP3A4
SCHEMBL3941774 0.91 CD274 (0.49) CD274EPHX2ALDH1A1CYP1A2CYP3A4
SCHEMBL3942216 0.90 ALDH1A1 (0.43) CD274EPHX2ALDH1A1CYP1A2CYP3A4
SCHEMBL3949611 0.90 ALDH1A1 (0.42) CD274EPHX2ALDH1A1CYP1A2CYP3A4
SCHEMBL14307307 0.90 ALDH1A1 (0.42) CD274EPHX2ALDH1A1CYP1A2CYP3A4
SCHEMBL3950196 0.89 ALDH1A1 (0.43) CD274ALDH1A1CYP1A2CYP3A4CYP2D6

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 CD274 4795/4885EPHX2 434/4885ALDH1A1 268/4885

“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.