SCHEMBL21991949

SCHEMBL21991949

CC(CC(=O)O)C(C)Oc1ccc(Br)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LDHA P00338 1/20 0.51
ALDH1A1 P00352 5/20 0.43
KDM4E B2RXH2 3/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
KMT2A Q03164 3/20 0.43
MEN1 O00255 2/20 0.43
GAA P10253 1/20 0.43
PPARG P37231 1/20 0.42
PPARA Q07869 1/20 0.42
POLB P06746 1/20 0.42
LMNA P02545 3/20 0.41
TDP1 Q9NUW8 1/20 0.41
FNTA P49354 1/20 0.40
FNTB P49356 1/20 0.40
FFAR1 O14842 1/20 0.39
FFAR4 Q5NUL3 1/20 0.39
SRD5A2 P31213 1/20 0.39
MAPT P10636 2/20 0.39
MAPK1 P28482 1/20 0.39
RAB9A P51151 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
SCHEMBL21991586 0.85 TAS1R3 (0.49) LDHAKMT2APPARGPPARAFFAR1
SCHEMBL21991580 0.84 LDHA (0.45) LDHAALDH1A1KDM4ESMN1; SMN2KMT2A
SCHEMBL21991573 0.83 KMT2A (0.50) KMT2AGAAPPARGPPARALMNA
SCHEMBL21991330 0.83 NPSR1 (0.48) ALDH1A1SMN1; SMN2KMT2AGAAPPARG
SCHEMBL10958161 0.83 LDHA (0.55) LDHAALDH1A1KDM4ESMN1; SMN2KMT2A
SCHEMBL21991345 0.83 LDHA (0.44) LDHAALDH1A1KDM4ESMN1; SMN2KMT2A
SCHEMBL21992685 0.81 KMT2A (0.48) LDHAALDH1A1KDM4ESMN1; SMN2KMT2A
SCHEMBL21991971 0.81 PPARG (0.50) KDM4EKMT2AMEN1PPARGPPARA
SCHEMBL21991350 0.80 FNTA (0.48) KMT2AGAAPPARGPPARAFNTA
SCHEMBL21991490 0.77 LDHA (0.61) LDHAALDH1A1KDM4ESMN1; SMN2KMT2A

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 LDHA 3139/4885ALDH1A1 932/4885KDM4E 4518/4885
US-20200138766-A1 CCL5 INHIBITORS CCL5, CCL11, CCR5 LDHA 3139/4885ALDH1A1 932/4885KDM4E 4518/4885
US-20210196665-A1 CCL5 Inhibitors CCL5, CCL11, CCR5 LDHA 3139/4885ALDH1A1 932/4885KDM4E 4518/4885
US-10940132-B2 CCL5 inhibitors CCL5, CCL11, CCR5 LDHA 3139/4885ALDH1A1 932/4885KDM4E 4518/4885
US-11318111-B2 CCL5 inhibitors CCL5, CCL11, CCR5 LDHA 3139/4885ALDH1A1 932/4885KDM4E 4518/4885
US-20220409566-A1 CCL5 Inhibitors CCL5, CCL11, CCR5 LDHA 3139/4885ALDH1A1 932/4885KDM4E 4518/4885

“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.