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Sugi Predict / Compounds / SCHEMBL21992664

SCHEMBL21992664

SCHEMBL21992664

COC(=O)C(C)(C)COc1ccc(Oc2ccc(Cl)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SSTR4 P31391 1/20 0.50
▸ DGAT1 O75907 3/20 0.46
▸ MAP4K4 O95819 1/20 0.44
▸ PTGS2 P35354 1/20 0.44
▸ ALDH1A1 P00352 2/20 0.43
▸ L3MBTL1 Q9Y468 2/20 0.43
▸ MEN1 O00255 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ PPARA Q07869 3/20 0.43
▸ CYP1A2 P05177 2/20 0.43
▸ CYP3A4 P08684 2/20 0.43
▸ ABCB11 O95342 1/20 0.43
▸ TSHR P16473 1/20 0.43
▸ HTR2A P28223 1/20 0.43
▸ PMP22 Q01453 1/20 0.43
▸ P2RX3 P56373 2/20 0.42
▸ ATF4 P18848 1/20 0.42
▸ CYP2D6 P10635 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41

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
SCHEMBL21748570 0.95 SSTR4 (0.53) SSTR4DGAT1MAP4K4PTGS2ALDH1A1
SCHEMBL21992666 0.88 ELANE (0.56) SSTR4DGAT1MAP4K4ALDH1A1L3MBTL1
SCHEMBL21992687 0.87 MAOB (0.57) SSTR4PPARA
SCHEMBL21991596 0.85 PPARA (0.50) PTGS2ALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL21991927 0.85 PPARA (0.58) SSTR4MAP4K4ALDH1A1MEN1KMT2A
SCHEMBL21991957 0.84 MAP4K4 (0.58) SSTR4DGAT1MAP4K4MEN1KMT2A
SCHEMBL21991559 0.84 PPARA (0.51) SSTR4MAP4K4ALDH1A1MEN1KMT2A
SCHEMBL1148306 0.83 PTGS2 (0.48) SSTR4PTGS2ALDH1A1L3MBTL1MEN1
SCHEMBL21991554 0.82 ALDH1A1 (0.48) ALDH1A1MEN1KMT2APPARACYP1A2
SCHEMBL3881117 0.82 DGAT1 (0.49) DGAT1ALDH1A1PPARAMAPT

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 SSTR4 2833/4885DGAT1 525/4885MAP4K4 2952/4885
US-20200138766-A1 CCL5 INHIBITORS CCL5, CCL11, CCR5 SSTR4 2833/4885DGAT1 525/4885MAP4K4 2952/4885
US-20210196665-A1 CCL5 Inhibitors CCL5, CCL11, CCR5 SSTR4 2833/4885DGAT1 525/4885MAP4K4 2952/4885
US-10940132-B2 CCL5 inhibitors CCL5, CCL11, CCR5 SSTR4 2833/4885DGAT1 525/4885MAP4K4 2952/4885
US-11318111-B2 CCL5 inhibitors CCL5, CCL11, CCR5 SSTR4 2833/4885DGAT1 525/4885MAP4K4 2952/4885
US-20220409566-A1 CCL5 Inhibitors CCL5, CCL11, CCR5 SSTR4 2833/4885DGAT1 525/4885MAP4K4 2952/4885

“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.