SCHEMBL5647594

SCHEMBL5647594

CCCS(=O)(=O)c1ccc(CC=O)cc1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ PSIP1 O75475 2/20 0.46
▸ ALDH1A1 P00352 3/20 0.43
▸ CYP3A4 P08684 1/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ CA2 P00918 5/20 0.42
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ GAA P10253 1/20 0.38
▸ KMT2A Q03164 3/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ MAPK1 P28482 1/20 0.36
▸ RORC P51449 1/20 0.36
▸ MEN1 O00255 2/20 0.36
▸ LMNA P02545 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ MMP13 P45452 1/20 0.36

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
SCHEMBL21277861 0.86 PSIP1 (0.61) PSIP1ALDH1A1CYP3A4CYP2C9CYP2C19
SCHEMBL3880988 0.82 PSIP1 (0.47) PSIP1ALDH1A1CYP3A4CYP2C9CYP2C19
SCHEMBL1941301 0.78 PSIP1 (0.47) PSIP1ALDH1A1CYP3A4CYP2C9CYP2C19
SCHEMBL28906881 0.78 CA2 (0.53) PSIP1ALDH1A1CYP3A4CYP2C9CYP2C19
SCHEMBL3882769 0.78 PSIP1 (0.74) PSIP1ALDH1A1CYP3A4CYP2C9CYP2C19
SCHEMBL3060869 0.78 PSIP1 (0.47) PSIP1ALDH1A1CYP3A4CYP2C9CYP2C19
SCHEMBL2054720 0.78 ALDH1A1 (0.44) PSIP1ALDH1A1CYP3A4CYP2C9CYP2C19
SCHEMBL10619867 0.78 ALDH1A1 (0.47) PSIP1ALDH1A1CYP3A4CYP2C9CYP2C19
SCHEMBL5325324 0.76 CA2 (0.56) PSIP1ALDH1A1CA2SMN1; SMN2KMT2A
SCHEMBL1428902 0.75 ENPP2 (0.48) —

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070049620-A1 Cyclic tertiary amine compound SANKYO COMPANY, LIMITED (JP) 2007-03-01 — — US disclosed
EP-1632488-A1 CYCLIC TERTIARY AMINE COMPOUND Sankyo Company, Limited (JP) 2006-03-08 — — EP 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-20070049620-A1 Cyclic tertiary amine compound MYD88, IL5, BRD4 PSIP1 2510/4885ALDH1A1 1438/4885CYP3A4 680/4885

“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.

Send feedback