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Sugi Predict / Compounds / SCHEMBL21991576

SCHEMBL21991576

SCHEMBL21991576

CC(C)OC(=O)C(C)(C)CCOc1ccc(C(F)(F)F)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PPARA Q07869 4/20 0.52
▸ CYP1A1 P04798 2/20 0.45
▸ CYP1B1 Q16678 2/20 0.45
▸ MAOB P27338 4/20 0.44
▸ ALDH1A1 P00352 1/20 0.43
▸ PPARD Q03181 2/20 0.42
▸ CHRNB2 P17787 1/20 0.40
▸ CHRNB4 P30926 1/20 0.40
▸ CHRNA3 P32297 1/20 0.40
▸ CHRNA7 P36544 1/20 0.40
▸ CHRNA4 P43681 1/20 0.40
▸ MDH1 P40925 1/20 0.40
▸ MDH2 P40926 1/20 0.40
▸ PTPN1 P18031 1/20 0.40
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ AOC3 Q16853 1/20 0.39
▸ DGAT1 O75907 1/20 0.39
▸ PPARG P37231 1/20 0.39
▸ PSMB5 P28074 1/20 0.38

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
SCHEMBL21991599 0.96 PPARA (0.49) PPARACYP1A1CYP1B1MAOBALDH1A1
SCHEMBL21991603 0.93 MAOB (0.55) PPARAMAOBPPARG
SCHEMBL21991914 0.86 PPARA (0.45) PPARACYP1A1CYP1B1MAOBALDH1A1
SCHEMBL21991337 0.86 SMN1; SMN2 (0.43) PPARAMAOB
SCHEMBL21991339 0.85 PPARA (0.55) PPARACYP1A1CYP1B1MAOBALDH1A1
SCHEMBL21991919 0.85 PPARA (0.49) PPARAALDH1A1
SCHEMBL21991582 0.83 PPARA (0.52) PPARAMAOBALDH1A1PPARDMEN1
SCHEMBL21991990 0.83 ALDH1A1 (0.47) PPARAMAOBALDH1A1PPARD
SCHEMBL21991321 0.83 PPARA (0.43) PPARACYP1A1CYP1B1MAOBALDH1A1
SCHEMBL21991977 0.81 PPARA (0.73) PPARACYP1A1CYP1B1MAOBALDH1A1

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 806/4885CYP1A1 2333/4885CYP1B1 2142/4885
US-20200138766-A1 CCL5 INHIBITORS CCL5, CCL11, CCR5 PPARA 806/4885CYP1A1 2333/4885CYP1B1 2142/4885
US-20210196665-A1 CCL5 Inhibitors CCL5, CCL11, CCR5 PPARA 806/4885CYP1A1 2333/4885CYP1B1 2142/4885
US-10940132-B2 CCL5 inhibitors CCL5, CCL11, CCR5 PPARA 806/4885CYP1A1 2333/4885CYP1B1 2142/4885
US-11318111-B2 CCL5 inhibitors CCL5, CCL11, CCR5 PPARA 806/4885CYP1A1 2333/4885CYP1B1 2142/4885
US-20220409566-A1 CCL5 Inhibitors CCL5, CCL11, CCR5 PPARA 806/4885CYP1A1 2333/4885CYP1B1 2142/4885

“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.