SCHEMBL6961145

SCHEMBL6961145

CCCC[Sn](CCCC)(CCCC)c1nc(OC)ccc1C=O

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 10/20 0.36
TXNRD1 Q16881 3/20 0.34
ERN1 O75460 2/20 0.34
GSR P00390 1/20 0.34
PDE2A O00408 1/20 0.33
PDE5A O76074 1/20 0.33
PDE4A P27815 1/20 0.33
PDE4D Q08499 1/20 0.33
PDE7A Q13946 1/20 0.33
PDE3A Q14432 1/20 0.33
PDE11A Q9HCR9 1/20 0.33
PDE7B Q9NP56 1/20 0.33
ALDH1A1 P00352 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
GAA P10253 1/20 0.31

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
SCHEMBL4626756 0.77 TXNRD1 (0.34) PDE10ATXNRD1ERN1GSRL3MBTL1
SCHEMBL225571 0.75 TXNRD1 (0.55) TXNRD1GSR
SCHEMBL14032801 0.69 NNMT (0.50) PDE10AERN1PDE2APDE5APDE4A
SCHEMBL29935910 0.69 NNMT (0.50) PDE10AERN1PDE2APDE5APDE4A
SCHEMBL29199342 0.69 KDM4E (0.41) ALDH1A1
SCHEMBL3571476 0.68 ALDH1A1 (0.55) PDE10AERN1ALDH1A1L3MBTL1GAA
SCHEMBL153619 0.68 PDE10A (0.35) PDE10ATXNRD1GSRPDE2APDE5A
SCHEMBL29779695 0.68 PDE10A (0.35) PDE10ATXNRD1GSRPDE2APDE5A
SCHEMBL23046187 0.68 ERN1 (0.42) PDE10AERN1ALDH1A1L3MBTL1
SCHEMBL1534756 0.68 ERN1 (0.52) PDE10AERN1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6642252-B2 Anticoagulants in treating and preventing cardiovascular diseases, as anti-inflammatory agents, and as metastasis inhibitors in treating cancer. BRISTOL-MYERS SQUIBB COMPANY 2003-11-04 US disclosed
US-20030166685-A1 Acid derivatives useful as serine protease inhibitors BRISTOL-MYERS SQUIBB COMPANY 2003-09-04 US disclosed
EP-1332131-A2 ACID DERIVATIVES USEFUL AS SERINE PROTEASE INHIBITORS Bristol-Myers Squibb Company (US) 2003-08-06 EP disclosed
WO-2002042273-A2 ACID DERIVATIVES USEFUL AS SERINE PROTEASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2002-05-30 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-20030166685-A1 Acid derivatives useful as serine protease inhibitors F9, F11, F12 PDE10A 4092/4885TXNRD1 3967/4885ERN1 466/4885

“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.