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Sugi Predict / Compounds / SCHEMBL21991808

SCHEMBL21991808

SCHEMBL21991808

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

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.47
▸ NPSR1 Q6W5P4 2/20 0.42
▸ MAPT P10636 2/20 0.40
▸ POLB P06746 2/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ SMN1; SMN2 Q16637 3/20 0.39
▸ LMNA P02545 1/20 0.39
▸ PPARG P37231 2/20 0.39
▸ PPARA Q07869 2/20 0.39
▸ PARP10 Q53GL7 1/20 0.39
▸ TDP1 Q9NUW8 2/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ IDO1 P14902 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
SCHEMBL21991774 0.85 ALDH1A1 (0.53) ALDH1A1NPSR1MAPTPOLBKMT2A
SCHEMBL21992559 0.85 HPGD (0.50) ALDH1A1POLBKMT2ASMN1; SMN2LMNA
SCHEMBL23605981 0.85 KMT2A (0.43) ALDH1A1NPSR1MAPTPOLBKMT2A
SCHEMBL21992544 0.83 KMT2A (0.45) NPSR1MAPTPOLBKMT2ASMN1; SMN2
SCHEMBL21992597 0.83 LDHA (0.47) ALDH1A1NPSR1MAPTPOLBKMT2A
SCHEMBL21991733 0.83 ALDH1A1 (0.58) ALDH1A1NPSR1MAPTPOLBKMT2A
SCHEMBL21991851 0.83 PPARG (0.43) ALDH1A1NPSR1POLBKMT2ALMNA
SCHEMBL21992537 0.82 NPSR1 (0.47) ALDH1A1NPSR1MAPTKMT2ASMN1; SMN2
SCHEMBL21991796 0.81 ALDH1A1 (0.51) ALDH1A1NPSR1MAPTPOLBKMT2A
SCHEMBL21991502 0.80 MEN1 (0.42) NPSR1MAPTPOLBKMT2ASMN1; SMN2

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 ALDH1A1 932/4885NPSR1 712/4885MAPT 4264/4885
US-20200138766-A1 CCL5 INHIBITORS CCL5, CCL11, CCR5 ALDH1A1 932/4885NPSR1 712/4885MAPT 4264/4885
US-20210196665-A1 CCL5 Inhibitors CCL5, CCL11, CCR5 ALDH1A1 932/4885NPSR1 712/4885MAPT 4264/4885
US-10940132-B2 CCL5 inhibitors CCL5, CCL11, CCR5 ALDH1A1 932/4885NPSR1 712/4885MAPT 4264/4885
US-11318111-B2 CCL5 inhibitors CCL5, CCL11, CCR5 ALDH1A1 932/4885NPSR1 712/4885MAPT 4264/4885
US-20220409566-A1 CCL5 Inhibitors CCL5, CCL11, CCR5 ALDH1A1 932/4885NPSR1 712/4885MAPT 4264/4885

“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.