SCHEMBL21991988

SCHEMBL21991988

CCOC(=O)C[C@H](C)[C@@H](C)Oc1ccc(F)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.47
MAPT P10636 3/20 0.47
ALDH1A1 P00352 3/20 0.43
CYP1A2 P05177 2/20 0.43
LMNA P02545 2/20 0.43
MEN1 O00255 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
KMT2A Q03164 1/20 0.43
KDM4E B2RXH2 1/20 0.41
GAA P10253 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
HPGD P15428 1/20 0.40
NOS3 P29474 1/20 0.40
NOS1 P29475 1/20 0.40
NOS2 P35228 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
POLB P06746 1/20 0.39
PPARG P37231 1/20 0.38
PPARA Q07869 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
SCHEMBL21991571 1.00 NPSR1 (0.47) NPSR1MAPTALDH1A1CYP1A2LMNA
SCHEMBL21991613 1.00 NPSR1 (0.47) NPSR1MAPTALDH1A1CYP1A2LMNA
SCHEMBL21992014 1.00 NPSR1 (0.47) NPSR1MAPTALDH1A1CYP1A2LMNA
SCHEMBL21991997 1.00 NPSR1 (0.47) NPSR1MAPTALDH1A1CYP1A2LMNA
SCHEMBL21992715 0.87 ALOX15 (0.45) MAPTALDH1A1MEN1KMT2AKDM4E
SCHEMBL21991568 0.86 NOS3 (0.44) NPSR1MAPTMEN1KMT2AKDM4E
SCHEMBL21991338 0.85 PPARA (0.46) NPSR1MAPTALDH1A1CYP1A2CYP2C9
SCHEMBL21992685 0.85 KMT2A (0.48) NPSR1MAPTALDH1A1CYP1A2LMNA
SCHEMBL21991286 0.85 NPSR1 (0.49) NPSR1MAPTALDH1A1CYP1A2LMNA
SCHEMBL21991557 0.85 ALDH1A1 (0.49) NPSR1MAPTALDH1A1CYP1A2LMNA

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

“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.