SCHEMBL21991801

SCHEMBL21991801

COc1cc(OCCC(=O)OC(C)C)ccc1F

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 1/20 0.42
PDE3A Q14432 1/20 0.42
P2RY12 Q9H244 1/20 0.42
HCRTR2 O43614 1/20 0.41
HPGD P15428 1/20 0.40
FFAR1 O14842 1/20 0.40
FFAR4 Q5NUL3 1/20 0.40
PARP15 Q460N3 1/20 0.39
PARP10 Q53GL7 1/20 0.39
HIF1A Q16665 1/20 0.39
MAPT P10636 3/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
GRM4 Q14833 1/20 0.38
THRA P10827 1/20 0.38
THRB P10828 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
SCHEMBL21991501 0.86 HPGD (0.46) HCRTR2HPGDPARP15PARP10MAPT
SCHEMBL21992545 0.83 BRD4 (0.45) FFAR1FFAR4
SCHEMBL21991836 0.82 LMNA (0.54) HPGDFFAR1FFAR4PARP15PARP10
SCHEMBL21991994 0.80 HCRTR2 (0.39) HCRTR2HPGDFFAR1FFAR4PARP15
SCHEMBL21991306 0.80 BACE1 (0.37) MAPTGRM4
SCHEMBL21991503 0.80 MAPT (0.58) HPGDMAPTSMN1; SMN2
SCHEMBL21991242 0.79 MAPT (0.56) MAPTL3MBTL1SMN1; SMN2
SCHEMBL21992716 0.78 MTNR1B (0.36)
SCHEMBL21991241 0.76 GRM4 (0.39) HPGDMAPTL3MBTL1SMN1; SMN2GRM4
SCHEMBL21992543 0.76 L3MBTL1 (0.53) HPGDMAPTL3MBTL1SMN1; 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 PDE3B 61/4885PDE3A 85/4885P2RY12 1138/4885
US-20200138766-A1 CCL5 INHIBITORS CCL5, CCL11, CCR5 PDE3B 61/4885PDE3A 85/4885P2RY12 1138/4885
US-20210196665-A1 CCL5 Inhibitors CCL5, CCL11, CCR5 PDE3B 61/4885PDE3A 85/4885P2RY12 1138/4885
US-10940132-B2 CCL5 inhibitors CCL5, CCL11, CCR5 PDE3B 61/4885PDE3A 85/4885P2RY12 1138/4885
US-11318111-B2 CCL5 inhibitors CCL5, CCL11, CCR5 PDE3B 61/4885PDE3A 85/4885P2RY12 1138/4885
US-20220409566-A1 CCL5 Inhibitors CCL5, CCL11, CCR5 PDE3B 61/4885PDE3A 85/4885P2RY12 1138/4885

“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.