SCHEMBL21991787

SCHEMBL21991787

CCCCC(Oc1ccc(Br)cc1)C(=O)OC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 1/20 0.46
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
LDHA P00338 1/20 0.42
PPARG P37231 2/20 0.42
PPARA Q07869 1/20 0.42
TAS1R3 Q7RTX0 1/20 0.41
TAS1R1 Q7RTX1 1/20 0.41
MMP9 P14780 1/20 0.41
MMP13 P45452 1/20 0.41
ZDHHC7 Q9NXF8 1/20 0.41
KMT2A Q03164 2/20 0.40
ALDH1A1 P00352 2/20 0.40
MEN1 O00255 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MMP1 P03956 1/20 0.40
MMP2 P08253 1/20 0.40
MMP3 P08254 1/20 0.40
PTGES O14684 1/20 0.40
ALOX5 P09917 1/20 0.40

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
SCHEMBL21991476 0.88 ALDH2 (0.48) MGLLLDHAPPARGPPARAKMT2A
SCHEMBL21991757 0.88 TAS1R3 (0.52) CA1CA2PPARGPPARATAS1R3
SCHEMBL21991764 0.86 MGLL (0.41) MGLLLDHAPPARGPPARAKMT2A
SCHEMBL21103822 0.85 PPARA (0.52) CA1CA2PPARGPPARAMMP2
SCHEMBL21991747 0.85 PPARA (0.52) CA1CA2PPARGPPARAMMP2
SCHEMBL21991748 0.85 PPARG (0.44) CA1CA2PPARGPPARATAS1R3
SCHEMBL21991756 0.85 PPARA (0.54) MGLLLDHAPPARGPPARASMN1; SMN2
SCHEMBL17442046 0.85 LDHA (0.45) LDHAPPARGPPARAKMT2AALDH1A1
SCHEMBL15880375 0.85 LDHA (0.45) LDHAPPARGPPARAKMT2AALDH1A1
SCHEMBL11858517 0.85 PPARG (0.50) CA1CA2PPARGPPARAALDH1A1

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 5 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-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 (5 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-20200138766-A1 CCL5 INHIBITORS CCL5, CCL11, CCR5 MGLL 255/4885CA1 4372/4885CA2 4634/4885
US-20210196665-A1 CCL5 Inhibitors CCL5, CCL11, CCR5 MGLL 255/4885CA1 4372/4885CA2 4634/4885
US-10940132-B2 CCL5 inhibitors CCL5, CCL11, CCR5 MGLL 255/4885CA1 4372/4885CA2 4634/4885
US-11318111-B2 CCL5 inhibitors CCL5, CCL11, CCR5 MGLL 255/4885CA1 4372/4885CA2 4634/4885
US-20220409566-A1 CCL5 Inhibitors CCL5, CCL11, CCR5 MGLL 255/4885CA1 4372/4885CA2 4634/4885

“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.