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Sugi Predict / Compounds / SCHEMBL21991245

SCHEMBL21991245

SCHEMBL21991245

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.47
▸ NPSR1 Q6W5P4 4/20 0.39
▸ CNR1 P21554 3/20 0.39
▸ TSHR P16473 2/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ CYP1A2 P05177 2/20 0.39
▸ CYP2C9 P11712 2/20 0.39
▸ CYP2C19 P33261 2/20 0.39
▸ HPGD P15428 2/20 0.39
▸ USP2 O75604 1/20 0.39
▸ ABCB11 O95342 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ ADORA3 P0DMS8 1/20 0.39
▸ ADRB3 P13945 1/20 0.39
▸ ACHE P22303 1/20 0.39
▸ SLC6A2 P23975 1/20 0.39
▸ HTR2A P28223 1/20 0.39
▸ HTR2C P28335 1/20 0.39

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
SCHEMBL21991505 0.86 CYP1A2 (0.46) MAPTNPSR1CNR1TSHRMEN1
SCHEMBL23605978 0.86 MAPT (0.40) MAPTNPSR1CNR1TSHRMEN1
SCHEMBL21992547 0.85 TRPV1 (0.43) MAPTNPSR1CNR1TSHRMEN1
SCHEMBL21991811 0.85 MAPT (0.42) MAPTNPSR1CNR1TSHRMEN1
SCHEMBL21992542 0.85 PPARA (0.55) MAPTNPSR1CNR1TSHRMEN1
SCHEMBL21991498 0.83 KMT2A (0.41) MAPTKMT2ACYP1A2HPGDLMNA
SCHEMBL21991876 0.82 TRPV1 (0.40) MEN1KMT2APPARGPPARA
SCHEMBL21991526 0.81 PPARA (0.51) MAPTNPSR1CNR1TSHRMEN1
SCHEMBL21991259 0.80 POLB (0.47) MAPTNPSR1TSHRMEN1KMT2A
SCHEMBL21992541 0.79 PPARA (0.41) MAPTMEN1KMT2ACYP1A2CYP2C19

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 MAPT 4264/4885NPSR1 712/4885CNR1 1076/4885
US-20200138766-A1 CCL5 INHIBITORS CCL5, CCL11, CCR5 MAPT 4264/4885NPSR1 712/4885CNR1 1076/4885
US-20210196665-A1 CCL5 Inhibitors CCL5, CCL11, CCR5 MAPT 4264/4885NPSR1 712/4885CNR1 1076/4885
US-10940132-B2 CCL5 inhibitors CCL5, CCL11, CCR5 MAPT 4264/4885NPSR1 712/4885CNR1 1076/4885
US-11318111-B2 CCL5 inhibitors CCL5, CCL11, CCR5 MAPT 4264/4885NPSR1 712/4885CNR1 1076/4885
US-20220409566-A1 CCL5 Inhibitors CCL5, CCL11, CCR5 MAPT 4264/4885NPSR1 712/4885CNR1 1076/4885

“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.