SCHEMBL21991933

SCHEMBL21991933

COc1ccc(OCC(C)CC(=O)O)cc1

nearest known ligand 0.57

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 1/20 0.57
ITGA2B P08514 1/20 0.57
FFAR1 O14842 10/20 0.56
CYP2C9 P11712 1/20 0.49
TSHR P16473 1/20 0.49
ALDH1A1 P00352 1/20 0.47
LDHA P00338 1/20 0.46
DRD3 P35462 1/20 0.46
KMT2A Q03164 1/20 0.46
ATM Q13315 1/20 0.46

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
SCHEMBL14157457 0.86 ITGB3 (0.57) ITGB3ITGA2BFFAR1CYP2C9TSHR
SCHEMBL25832150 0.86 ITGB3 (0.57) ITGB3ITGA2BFFAR1CYP2C9TSHR
SCHEMBL21991333 0.85 ITGB3 (0.56) ITGB3ITGA2BFFAR1ALDH1A1KMT2A
SCHEMBL27916324 0.83 ITGB3 (0.54) ITGB3ITGA2BFFAR1CYP2C9ALDH1A1
SCHEMBL9714249 0.83 FFAR1 (0.61) ITGB3ITGA2BFFAR1
SCHEMBL1913900 0.82 CACNA2D1 (0.47) ITGB3ITGA2BFFAR1CYP2C9TSHR
SCHEMBL4939316 0.82 CACNA2D1 (0.47) ITGB3ITGA2BFFAR1CYP2C9TSHR
SCHEMBL4939311 0.82 CACNA2D1 (0.47) ITGB3ITGA2BFFAR1CYP2C9TSHR
SCHEMBL3127511 0.82 CACNA2D1 (0.47) ITGB3ITGA2BFFAR1CYP2C9TSHR
SCHEMBL5228349 0.82 ITGB3 (0.53) ITGB3ITGA2BFFAR1CYP2C9TSHR

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-10940132-B2 CCL5 inhibitors AFECTA PHARMACEUTICALS, INC. (US) 2021-03-09 US disclosed
US-20200138766-A1 CCL5 INHIBITORS LAPKO INC. DBA AFECTA PHARMACEUTICALS 2020-05-07 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-20200138766-A1 CCL5 INHIBITORS CCL5, CCL11, CCR5 ITGB3 1766/4885ITGA2B 2436/4885FFAR1 147/4885
US-10940132-B2 CCL5 inhibitors CCL5, CCL11, CCR5 ITGB3 1766/4885ITGA2B 2436/4885FFAR1 147/4885

“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.