SCHEMBL21992550

SCHEMBL21992550

COc1ccc(OC(C)C(C)C(=O)O)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 1/20 0.55
TAS1R1 Q7RTX1 1/20 0.55
TAS1R2 Q8TE23 1/20 0.55
LDHA P00338 1/20 0.52
PPARG P37231 1/20 0.51
PPARA Q07869 1/20 0.51
CA1 P00915 2/20 0.50
CA2 P00918 2/20 0.50
MTNR1A P48039 1/20 0.49
MTNR1B P49286 1/20 0.49
CYP1A2 P05177 3/20 0.47
ALDH1A1 P00352 1/20 0.47
CES2 O00748 2/20 0.47
CES1 P23141 2/20 0.47
PTGS2 P35354 3/20 0.46
AKR1C3 P42330 3/20 0.46
AKR1C2 P52895 3/20 0.46
PTGS1 P23219 2/20 0.46
CDC42 P60953 1/20 0.46
RAC1 P63000 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
SCHEMBL23605973 0.86 PPARG (0.46) TAS1R3TAS1R1TAS1R2LDHAPPARG
SCHEMBL1716119 0.86 GAA (0.52) PPARGPPARAMTNR1AMTNR1BCYP1A2
SCHEMBL21992562 0.85 TAS1R3 (0.51) TAS1R3TAS1R1TAS1R2CA1CA2
SCHEMBL21991788 0.85 PPARA (0.51) PPARGPPARACYP1A2CYP2C9CYP2C19
SCHEMBL21991796 0.85 ALDH1A1 (0.51) TAS1R3TAS1R1TAS1R2LDHAPPARG
SCHEMBL21991490 0.85 LDHA (0.61) TAS1R3TAS1R1TAS1R2LDHAPPARG
SCHEMBL21992559 0.82 HPGD (0.50) TAS1R3TAS1R1TAS1R2PPARGPPARA
Lactisole SCHEMBL352607 0.82 GAA (0.67) TAS1R3TAS1R1TAS1R2LDHAPPARG
Lactisole SCHEMBL5600662 0.82 GAA (0.67) TAS1R3TAS1R1TAS1R2LDHAPPARG
Lactisole SCHEMBL10667608 0.82 GAA (0.67) TAS1R3TAS1R1TAS1R2LDHAPPARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220409566-A1 CCL5 Inhibitors LAPKO INC, dba AFECTA PHARMACEUTICALS 2022-12-29 US disclosed
US-20220142961-A1 CCL5 Inhibitors LAPKO INC, dba AFECTA PHARMACEUTICALS 2022-05-12 US disclosed
US-11318111-B2 CCL5 inhibitors LAPKO INC (US) 2022-05-03 US disclosed
US-20210196665-A1 CCL5 Inhibitors AFECTA PHARMACEUTICALS, INC. (US) 2021-07-01 US disclosed
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 (6 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-20220142961-A1 CCL5 Inhibitors CCL5, CCL11, CCR5 TAS1R3 1961/4885TAS1R1 1864/4885TAS1R2 2687/4885
US-20200138766-A1 CCL5 INHIBITORS CCL5, CCL11, CCR5 TAS1R3 1961/4885TAS1R1 1864/4885TAS1R2 2687/4885
US-20210196665-A1 CCL5 Inhibitors CCL5, CCL11, CCR5 TAS1R3 1961/4885TAS1R1 1864/4885TAS1R2 2687/4885
US-10940132-B2 CCL5 inhibitors CCL5, CCL11, CCR5 TAS1R3 1961/4885TAS1R1 1864/4885TAS1R2 2687/4885
US-11318111-B2 CCL5 inhibitors CCL5, CCL11, CCR5 TAS1R3 1961/4885TAS1R1 1864/4885TAS1R2 2687/4885
US-20220409566-A1 CCL5 Inhibitors CCL5, CCL11, CCR5 TAS1R3 1961/4885TAS1R1 1864/4885TAS1R2 2687/4885

“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.