SCHEMBL3160384

SCHEMBL3160384

CCN(CC)CCCN[C]=S

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PAOX Q6QHF9 1/20 0.39
ALDH1A1 P00352 1/20 0.38
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
GAA P10253 3/20 0.33
USP2 O75604 1/20 0.33
TSHR P16473 1/20 0.32
APAF1 O14727 1/20 0.32
MITF O75030 1/20 0.32
NSD2 O96028 1/20 0.32
MAPT P10636 1/20 0.32
LMNA P02545 1/20 0.31
SIGMAR1 Q99720 1/20 0.31
TOP2A P11388 1/20 0.30
CACNA2D1 P54289 1/20 0.30

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
SCHEMBL1306752 0.77 PAOX (0.43) PAOXALDH1A1NPC1RAB9AGAA
SCHEMBL3164933 0.76
SCHEMBL7994712 0.73 PAOX (0.57) PAOXALDH1A1NPC1RAB9AGAA
SCHEMBL270589 0.72
SCHEMBL759902 0.72 PAOX (0.61) PAOXALDH1A1NPC1RAB9AGAA
SCHEMBL26207 0.70 PAOX (0.44) PAOXALDH1A1NPC1RAB9AGAA
SCHEMBL293422 0.70
SCHEMBL11104427 0.69 EPHX1 (0.48) ALDH1A1TSHR
SCHEMBL7379246 0.69 ALDH1A1 (0.46) PAOXALDH1A1NPC1RAB9AGAA
SCHEMBL3250894 0.69 EPHX1 (0.48) ALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7700628-B2 Aromatic ether derivatives useful as thrombin inhibitors ELI LILLY AND COMPANY (US) 2010-04-20 US disclosed
EP-1817287-B1 AROMATIC ETHER DERIVATIVES USEFUL AS THROMBIN INHIBITORS LILLY CO ELI (US) 2010-02-10 EP disclosed
US-20090227566-A1 AROMATIC ETHER DERIVATIVES USEFUL AS THROMBIN INHIBITORS ELI LILLY AND COMPANY 2009-09-10 US disclosed
EP-1817287-A1 AROMATIC ETHER DERIVATIVES USEFUL AS THROMBIN INHIBITORS Eli Lilly and Company (US) 2007-08-15 EP disclosed
WO-2006057845-A1 AROMATIC ETHER DERIVATIVES USEFUL AS THROMBIN INHIBITORS ELI LILLY AND COMPANY (US) 2006-06-01 WO 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-20090227566-A1 AROMATIC ETHER DERIVATIVES USEFUL AS THROMBIN INHIBITORS TFPI, F2, F11 PAOX 1845/4885ALDH1A1 1415/4885NPC1 2610/4885

“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.