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Sugi Predict / Compounds / SCHEMBL21991876

SCHEMBL21991876

SCHEMBL21991876

CC(C)OC(=O)CC(C)(C)Oc1ccc(Oc2ccc(C(F)(F)F)cc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ TRPV1 Q8NER1 2/20 0.40
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ MAPK14 Q16539 1/20 0.39
▸ MMP2 P08253 4/20 0.38
▸ MMP9 P14780 4/20 0.38
▸ PPARA Q07869 4/20 0.38
▸ PPARD Q03181 3/20 0.38
▸ PPARG P37231 1/20 0.38
▸ FNTA P49354 1/20 0.37
▸ FNTB P49356 1/20 0.37
▸ LTA4H P09960 1/20 0.37
▸ EPHX2 P34913 1/20 0.37
▸ MAOB P27338 1/20 0.36

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
SCHEMBL21992547 0.96 TRPV1 (0.43) TRPV1MEN1KMT2APPARAPPARD
SCHEMBL21992632 0.87 MAOB (0.55) PPARAPPARDPPARGMAOB
SCHEMBL21991862 0.85 MAPK14 (0.44) TRPV1MEN1KMT2AMAPK14MMP2
SCHEMBL21991526 0.84 PPARA (0.51) MEN1KMT2APPARAPPARG
SCHEMBL21992629 0.83 POLB (0.45) MEN1KMT2AMAPK14PPARAPPARD
SCHEMBL21991245 0.82 MAPT (0.47) MEN1KMT2APPARAPPARG
SCHEMBL21991525 0.82 MEN1 (0.46) TRPV1MEN1KMT2AMAPK14PPARA
SCHEMBL23605978 0.80 MAPT (0.40) MEN1KMT2AMAPK14PPARAPPARG
SCHEMBL21991505 0.80 CYP1A2 (0.46) MEN1KMT2APPARAPPARG
SCHEMBL21991828 0.80 TRPV1 (0.46) TRPV1PPARAPPARDPPARGEPHX2

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 TRPV1 1213/4885MEN1 3749/4885KMT2A 4842/4885
US-20200138766-A1 CCL5 INHIBITORS CCL5, CCL11, CCR5 TRPV1 1213/4885MEN1 3749/4885KMT2A 4842/4885
US-20210196665-A1 CCL5 Inhibitors CCL5, CCL11, CCR5 TRPV1 1213/4885MEN1 3749/4885KMT2A 4842/4885
US-10940132-B2 CCL5 inhibitors CCL5, CCL11, CCR5 TRPV1 1213/4885MEN1 3749/4885KMT2A 4842/4885
US-11318111-B2 CCL5 inhibitors CCL5, CCL11, CCR5 TRPV1 1213/4885MEN1 3749/4885KMT2A 4842/4885
US-20220409566-A1 CCL5 Inhibitors CCL5, CCL11, CCR5 TRPV1 1213/4885MEN1 3749/4885KMT2A 4842/4885

“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.