SCHEMBL21991884

SCHEMBL21991884

CCOC(=O)C(C)(C)COc1ccc(F)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SSTR4 P31391 1/20 0.48
CYP1A2 P05177 3/20 0.44
ABCB11 O95342 1/20 0.44
CYP3A4 P08684 1/20 0.44
TSHR P16473 1/20 0.44
HTR2A P28223 1/20 0.44
PMP22 Q01453 1/20 0.44
PPARA Q07869 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
MAPT P10636 3/20 0.43
MAOB P27338 2/20 0.43
CYP2C19 P33261 2/20 0.42
MEN1 O00255 2/20 0.42
LMNA P02545 2/20 0.42
KMT2A Q03164 2/20 0.42
CYP2C9 P11712 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
HRH2 P25021 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
SCHEMBL23605682 0.87 MEN1 (0.49) CYP1A2ABCB11CYP3A4TSHRHTR2A
SCHEMBL21991889 0.86 ALDH1A1 (0.48) CYP1A2ABCB11CYP3A4TSHRHTR2A
SCHEMBL21991304 0.85 NPC1 (0.51) CYP1A2ABCB11CYP3A4TSHRHTR2A
SCHEMBL21991575 0.85 CYP1A2 (0.45) CYP1A2ABCB11CYP3A4TSHRHTR2A
SCHEMBL21991541 0.84 PPARA (0.63) SSTR4CYP1A2ABCB11CYP3A4TSHR
SCHEMBL21991896 0.84 ALDH1A1 (0.45) CYP1A2ABCB11CYP3A4TSHRHTR2A
SCHEMBL21991531 0.84 SSTR4 (0.53) SSTR4SMN1; SMN2MAPTMAOBMEN1
SCHEMBL21992674 0.81 NPC1 (0.48) PPARASMN1; SMN2NPC1RAB9AMAPT
SCHEMBL21991927 0.81 PPARA (0.58) SSTR4CYP1A2ABCB11CYP3A4TSHR
SCHEMBL21748731 0.80 DGAT1 (0.52) SSTR4PPARASMN1; SMN2MAOBCYP2C9

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 2833/4885CYP1A2 2919/4885ABCB11 404/4885
US-20200138766-A1 CCL5 INHIBITORS CCL5, CCL11, CCR5 SSTR4 2833/4885CYP1A2 2919/4885ABCB11 404/4885
US-20210196665-A1 CCL5 Inhibitors CCL5, CCL11, CCR5 SSTR4 2833/4885CYP1A2 2919/4885ABCB11 404/4885
US-10940132-B2 CCL5 inhibitors CCL5, CCL11, CCR5 SSTR4 2833/4885CYP1A2 2919/4885ABCB11 404/4885
US-11318111-B2 CCL5 inhibitors CCL5, CCL11, CCR5 SSTR4 2833/4885CYP1A2 2919/4885ABCB11 404/4885
US-20220409566-A1 CCL5 Inhibitors CCL5, CCL11, CCR5 SSTR4 2833/4885CYP1A2 2919/4885ABCB11 404/4885

“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.