SCHEMBL7104359

SCHEMBL7104359

COC(=O)[C@@H](N)Cc1ccc(OCC2CCCCC2)cc1

nearest known ligand 0.59

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 6/20 0.54
PARP15 Q460N3 5/20 0.54
ACACB O00763 6/20 0.52
ADAM17 P78536 1/20 0.50
PARP2 Q9UGN5 2/20 0.49
FFAR1 O14842 1/20 0.47
PTGS2 P35354 1/20 0.47
MMP3 P08254 1/20 0.44
HPGD P15428 1/20 0.44

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
Hydrochloric Acid SCHEMBL3498383 0.99 PARP10 (0.53) PARP10PARP15ACACBADAM17PARP2
Hydrochloric Acid SCHEMBL3498380 0.99 PARP10 (0.53) PARP10PARP15ACACBADAM17PARP2
Hydrochloric Acid SCHEMBL3500467 0.92 ACACB (0.57) PARP10PARP15ACACBPARP2
Hydrochloric Acid SCHEMBL3500469 0.92 ACACB (0.57) PARP10PARP15ACACBPARP2
Hydrochloric Acid SCHEMBL7492814 0.88 PARP10 (0.52) PARP10PARP15ACACBADAM17PARP2
SCHEMBL2923430 0.86 PARP10 (0.58) PARP10PARP15ACACBPARP2FFAR1
SCHEMBL2923427 0.86 PARP10 (0.58) PARP10PARP15ACACBPARP2FFAR1
SCHEMBL7538892 0.81 PARP15 (0.45) PARP10PARP15ACACBADAM17
SCHEMBL7327020 0.81 ACACB (0.47) ACACBPTGS2
SCHEMBL7327023 0.81 ACACB (0.47) ACACBPTGS2

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
EP-0991619-B1 INHIBITORS OF ALPHA 4-BETA 1 MEDIATED CELL ADHESION TANABE SEIYAKU CO (JP) 2003-09-10 EP disclosed
US-20030130349-A1 Inhibitors of alpha 4beta1 mediated cell adhesion TANABE SEIYAKU CO., LTD. 2003-07-10 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-20030130349-A1 Inhibitors of alpha 4beta1 mediated cell adhesion VCAM1, ICAM1, ITGB1 PARP10 1993/4885PARP15 1528/4885ACACB 932/4885

“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.