SCHEMBL21991874

SCHEMBL21991874

COC(=O)C(C)C(C)Oc1ccc(Oc2ccc(C(F)(F)F)cc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 1/20 0.41
LMNA P02545 1/20 0.41
PPARG P37231 1/20 0.41
PPARA Q07869 1/20 0.41
FPR2 P25090 2/20 0.41
SCN9A Q15858 2/20 0.41
MMP2 P08253 4/20 0.40
MMP9 P14780 4/20 0.40
NOS3 P29474 2/20 0.40
NOS1 P29475 2/20 0.40
NOS2 P35228 2/20 0.40
MMP3 P08254 1/20 0.40
MMP8 P22894 1/20 0.40
MMP13 P45452 1/20 0.40
MMP14 P50281 1/20 0.40
ADAM17 P78536 1/20 0.40
KDM4E B2RXH2 1/20 0.40
MAPT P10636 1/20 0.40
FNTA P49354 1/20 0.39
FNTB P49356 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
SCHEMBL21991989 0.96 PPARG (0.43) PPARGPPARANOS3NOS1NOS2
SCHEMBL21992739 0.96 PPARG (0.43) PPARGPPARANOS3NOS1NOS2
SCHEMBL21991610 0.96 PPARG (0.43) PPARGPPARANOS3NOS1NOS2
SCHEMBL21991975 0.96 PPARG (0.43) PPARGPPARANOS3NOS1NOS2
SCHEMBL21991806 0.96 PPARG (0.43) PPARGPPARANOS3NOS1NOS2
SCHEMBL21991522 0.87 PPARG (0.40) MAPK14PPARGPPARAFPR2SCN9A
SCHEMBL21992625 0.86 IDH1 (0.44) MAPK14PPARGPPARAFPR2SCN9A
SCHEMBL21991289 0.85 PPARA (0.49) MAPK14PPARGPPARAFPR2SCN9A
SCHEMBL158783 0.85 MEN1 (0.51) MAPK14LMNAPPARGPPARAFPR2
SCHEMBL21991291 0.84 MAOB (0.57) PPARGMMP2MMP9MMP13

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 MAPK14 2558/4885LMNA 4533/4885PPARG 1583/4885
US-20200138766-A1 CCL5 INHIBITORS CCL5, CCL11, CCR5 MAPK14 2558/4885LMNA 4533/4885PPARG 1583/4885
US-20210196665-A1 CCL5 Inhibitors CCL5, CCL11, CCR5 MAPK14 2558/4885LMNA 4533/4885PPARG 1583/4885
US-10940132-B2 CCL5 inhibitors CCL5, CCL11, CCR5 MAPK14 2558/4885LMNA 4533/4885PPARG 1583/4885
US-11318111-B2 CCL5 inhibitors CCL5, CCL11, CCR5 MAPK14 2558/4885LMNA 4533/4885PPARG 1583/4885
US-20220409566-A1 CCL5 Inhibitors CCL5, CCL11, CCR5 MAPK14 2558/4885LMNA 4533/4885PPARG 1583/4885

“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.