SCHEMBL6469371

SCHEMBL6469371

C1COC2(CCC(N[C]3CC3)CC2)O1

nearest known ligand 0.32

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.32

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
SCHEMBL612330 0.73 ALDH1A1 (0.45) PKM
SCHEMBL6469372 0.73 PKM (0.35) PKM
SCHEMBL15704382 0.71 ALDH1A1 (0.34) PKM
SCHEMBL785793 0.71 ALDH1A1 (0.31) PKM
SCHEMBL55745 0.71 ALDH1A1 (0.31) PKM
SCHEMBL25354731 0.71 TRPA1 (0.39)
SCHEMBL1002242 0.70 ALDH1A1 (0.48) PKM
Hydrochloric Acid SCHEMBL17491131 0.70 ALDH1A1 (0.30) PKM
SCHEMBL2604453 0.69 KDM4E (0.58) PKM
SCHEMBL566106 0.69 IDO1 (0.39) PKM

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
US-20050192279-A1 Pyridazinones as antagonists of alpha4 integrins JANSSEN PHARAMACEUTICA, N.V. (BE) 2005-09-01 US claimed
US-20230033021-A1 TREATMENT OF A DISEASE OF THE GASTROINTESTINAL TRACT WITH AN INTEGRIN INHIBITOR GLAS USA LLC 2023-02-02 US disclosed
US-20050192279-A1 Pyridazinones as antagonists of alpha4 integrins JANSSEN PHARAMACEUTICA, N.V. (BE) 2005-09-01 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 (2 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-20230033021-A1 TREATMENT OF A DISEASE OF THE GASTROINTESTINAL TRACT WITH AN INTEGRIN INHIBITOR ITGAL, ITGB2, ITGB1 PKM 2739/4885
US-20050192279-A1 Pyridazinones as antagonists of alpha4 integrins ITGB4, ITGA4, ITGB5 PKM 1769/4885

“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.