SCHEMBL21991836

SCHEMBL21991836

COc1cc(OCCC(=O)O)ccc1F

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.53
FFAR1 O14842 5/20 0.50
FFAR4 Q5NUL3 4/20 0.50
TSHR P16473 1/20 0.48
HPGD P15428 1/20 0.47
MCL1 Q07820 1/20 0.45
PPARG P37231 2/20 0.44
PPARA Q07869 1/20 0.44
POLB P06746 1/20 0.43
MMP2 P08253 1/20 0.43
PDK2 Q15119 1/20 0.43
PARP15 Q460N3 1/20 0.43
PARP10 Q53GL7 1/20 0.43
PPARD Q03181 1/20 0.43

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
SCHEMBL21991501 0.87 HPGD (0.46) LMNAHPGDPARP15PARP10
SCHEMBL8215629 0.86 LMNA (0.63) LMNAL3MBTL1TSHRHPGDMCL1
SCHEMBL21992545 0.83 BRD4 (0.45) FFAR1FFAR4PDK2
SCHEMBL3080731 0.82 L3MBTL1 (0.56) L3MBTL1FFAR1FFAR4TSHRMCL1
SCHEMBL21991801 0.82 PDE3B (0.42) L3MBTL1FFAR1FFAR4HPGDPARP15
SCHEMBL30888680 0.82 LMNA (0.54) LMNAL3MBTL1FFAR1FFAR4TSHR
SCHEMBL21991944 0.80 PPARA (0.49) FFAR4TSHRPPARGPPARAPARP15
SCHEMBL30665865 0.80 LMNA (0.55) LMNAL3MBTL1TSHRHPGDMCL1
SCHEMBL2775814 0.80 L3MBTL1 (0.58) LMNAL3MBTL1FFAR1TSHRMCL1
SCHEMBL26654446 0.80 LMNA (0.55) LMNAL3MBTL1TSHRHPGDMCL1

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 LMNA 4533/4885L3MBTL1 1170/4885FFAR1 147/4885
US-20200138766-A1 CCL5 INHIBITORS CCL5, CCL11, CCR5 LMNA 4533/4885L3MBTL1 1170/4885FFAR1 147/4885
US-20210196665-A1 CCL5 Inhibitors CCL5, CCL11, CCR5 LMNA 4533/4885L3MBTL1 1170/4885FFAR1 147/4885
US-10940132-B2 CCL5 inhibitors CCL5, CCL11, CCR5 LMNA 4533/4885L3MBTL1 1170/4885FFAR1 147/4885
US-11318111-B2 CCL5 inhibitors CCL5, CCL11, CCR5 LMNA 4533/4885L3MBTL1 1170/4885FFAR1 147/4885
US-20220409566-A1 CCL5 Inhibitors CCL5, CCL11, CCR5 LMNA 4533/4885L3MBTL1 1170/4885FFAR1 147/4885

“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.