SCHEMBL21991840

SCHEMBL21991840

O=C(O)CCOc1ccc(C(O)Cc2ccc(Cl)cc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 2/20 0.49
▸ MEN1 O00255 1/20 0.48
▸ KMT2A Q03164 1/20 0.48
▸ PPARG P37231 6/20 0.48
▸ FFAR1 O14842 5/20 0.48
▸ PPARA Q07869 5/20 0.48
▸ LMNA P02545 1/20 0.48
▸ MAOB P27338 1/20 0.46
▸ FFAR4 Q5NUL3 1/20 0.45
▸ NR4A2 P43354 1/20 0.44
▸ MMP2 P08253 1/20 0.43
▸ ALOX15 P16050 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
SCHEMBL24805947 0.85 L3MBTL1 (0.54) L3MBTL1MEN1KMT2APPARGFFAR1
SCHEMBL355627 0.83 L3MBTL1 (0.67) L3MBTL1MEN1KMT2APPARGFFAR1
SCHEMBL21991528 0.81 NR4A2 (0.67) L3MBTL1FFAR1MAOBFFAR4NR4A2
SCHEMBL23605894 0.80 PPARG (0.53) PPARGPPARA
SCHEMBL8582394 0.79 L3MBTL1 (0.61) L3MBTL1FFAR1FFAR4MMP2
SCHEMBL5099590 0.76 SLC6A4 (0.54) PPARGPPARAALOX15
SCHEMBL21991829 0.76 PPARA (0.62) L3MBTL1PPARGPPARALMNAMAOB
SCHEMBL21991847 0.76 L3MBTL1 (0.58) L3MBTL1FFAR1PPARALMNAMAOB
SCHEMBL2180164 0.75 L3MBTL1 (0.57) L3MBTL1MEN1KMT2AFFAR1LMNA
SCHEMBL120716 0.75 KMT2A (0.58) L3MBTL1MEN1KMT2AFFAR1PPARA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (2 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 L3MBTL1 1170/4885MEN1 3749/4885KMT2A 4842/4885
US-10940132-B2 CCL5 inhibitors CCL5, CCL11, CCR5 L3MBTL1 1170/4885MEN1 3749/4885KMT2A 4842/4885

“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.

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