SCHEMBL21991776

SCHEMBL21991776

CC(C)(Oc1ccc(C(=O)Cc2ccc(Cl)cc2)cc1)C(=O)O

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 12/20 0.69
MAPT P10636 2/20 0.69
CYP1A2 P05177 2/20 0.69
CYP3A4 P08684 2/20 0.69
MEN1 O00255 1/20 0.69
CYP2D6 P10635 1/20 0.69
CYP2C19 P33261 1/20 0.69
KMT2A Q03164 1/20 0.69
PPARG P37231 7/20 0.69
FABP2 P12104 2/20 0.69
SLC22A12 Q96S37 1/20 0.69
PPARD Q03181 3/20 0.64
ALDH1A1 P00352 1/20 0.64
SMN1; SMN2 Q16637 1/20 0.64
PSEN1 P49768 3/20 0.60
PSEN2 P49810 3/20 0.60
APH1B Q8WW43 3/20 0.60
NCSTN Q92542 3/20 0.60
APH1A Q96BI3 3/20 0.60
PSENEN Q9NZ42 3/20 0.60

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
SCHEMBL9416384 0.87 PPARG (0.59) PPARAMAPTCYP1A2CYP3A4MEN1
SCHEMBL28624789 0.86 PPARA (0.68) PPARAMAPTCYP1A2CYP3A4MEN1
SCHEMBL21991244 0.86 NPC1 (0.55) PPARAMAPTCYP1A2CYP3A4MEN1
Clofibric Acid SCHEMBL317991 0.85 PPARA (0.96) PPARAMAPTCYP1A2CYP3A4MEN1
SCHEMBL21992469 0.84 PPARA (0.75) PPARAMAPTCYP1A2CYP3A4MEN1
SCHEMBL3811479 0.84 PPARA (0.81) PPARAMAPTCYP1A2CYP3A4MEN1
SCHEMBL21991514 0.84 L3MBTL1 (0.55) PPARAMAPTCYP1A2CYP3A4MEN1
Clofibric Acid SCHEMBL102826 0.83 PPARA (1.00) PPARAMAPTCYP1A2CYP3A4MEN1
Clofibric Acid SCHEMBL2227936 0.83 PPARA (1.00) PPARAMAPTCYP1A2CYP3A4MEN1
SCHEMBL21991790 0.83 CNR1 (0.73) PPARAMAPTCYP1A2CYP3A4MEN1

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 PPARA 806/4885MAPT 4264/4885CYP1A2 2919/4885
US-20200138766-A1 CCL5 INHIBITORS CCL5, CCL11, CCR5 PPARA 806/4885MAPT 4264/4885CYP1A2 2919/4885
US-20210196665-A1 CCL5 Inhibitors CCL5, CCL11, CCR5 PPARA 806/4885MAPT 4264/4885CYP1A2 2919/4885
US-10940132-B2 CCL5 inhibitors CCL5, CCL11, CCR5 PPARA 806/4885MAPT 4264/4885CYP1A2 2919/4885
US-11318111-B2 CCL5 inhibitors CCL5, CCL11, CCR5 PPARA 806/4885MAPT 4264/4885CYP1A2 2919/4885
US-20220409566-A1 CCL5 Inhibitors CCL5, CCL11, CCR5 PPARA 806/4885MAPT 4264/4885CYP1A2 2919/4885

“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.