SCHEMBL21991978

SCHEMBL21991978

COC(=O)C(C)C(C)COc1ccc(OCc2ccc(C(F)(F)F)cc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAOB P27338 7/20 0.57
MME P08473 1/20 0.52
ACE P12821 1/20 0.52
CPA1 P15085 1/20 0.52
ACE2 Q9BYF1 1/20 0.52
FFAR1 O14842 3/20 0.50
PPARG P37231 1/20 0.50
ADAMTS4 O75173 1/20 0.50
MMP13 P45452 1/20 0.50
SLC6A5 Q9Y345 2/20 0.47
MMP2 P08253 1/20 0.47
MMP9 P14780 1/20 0.47
SMPD1 P17405 1/20 0.47
HRH3 Q9Y5N1 1/20 0.46

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
SCHEMBL21991581 0.92 ALDH1A1 (0.48) MAOBMMEACECPA1ACE2
SCHEMBL21991963 0.89 MAOB (0.56) MAOBMMEACECPA1ACE2
SCHEMBL21992732 0.89 MAOB (0.56) MAOBMMEACECPA1ACE2
SCHEMBL21992729 0.89 ALDH1A1 (0.45) MAOBMMP2MMP9
SCHEMBL21992726 0.88 MAOB (0.60) MAOBMMEACECPA1ACE2
SCHEMBL21991291 0.85 MAOB (0.57) MAOBMMEACECPA1ACE2
SCHEMBL21991595 0.84 MAOB (0.55) MAOBFFAR1
SCHEMBL21991495 0.82 MAOB (0.60) MAOBMMEACECPA1ACE2
SCHEMBL21991930 0.81 PPARD (0.49) MAOBFFAR1PPARG
SCHEMBL21992697 0.81 MAOB (0.44) MAOBMMEACECPA1ACE2

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 MAOB 3946/4885MME 1259/4885ACE 614/4885
US-20200138766-A1 CCL5 INHIBITORS CCL5, CCL11, CCR5 MAOB 3946/4885MME 1259/4885ACE 614/4885
US-20210196665-A1 CCL5 Inhibitors CCL5, CCL11, CCR5 MAOB 3946/4885MME 1259/4885ACE 614/4885
US-10940132-B2 CCL5 inhibitors CCL5, CCL11, CCR5 MAOB 3946/4885MME 1259/4885ACE 614/4885
US-11318111-B2 CCL5 inhibitors CCL5, CCL11, CCR5 MAOB 3946/4885MME 1259/4885ACE 614/4885
US-20220409566-A1 CCL5 Inhibitors CCL5, CCL11, CCR5 MAOB 3946/4885MME 1259/4885ACE 614/4885

“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.