SCHEMBL8089170

SCHEMBL8089170

C[C@H](Oc1ccc(Oc2ccc(C(F)(F)F)cc2)cc1)C(=O)O

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.54
GAA P10253 1/20 0.54
CYP2C9 P11712 1/20 0.54
PKM P14618 1/20 0.54
CYP2C19 P33261 1/20 0.54
PPARA Q07869 5/20 0.51
PPARG P37231 4/20 0.51
PPARD Q03181 1/20 0.51
TDP1 Q9NUW8 1/20 0.50
FPR2 P25090 1/20 0.46
SCN9A Q15858 1/20 0.46
PDK2 Q15119 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
MAPK14 Q16539 1/20 0.45
SLC6A9 P48067 1/20 0.43
PTGDR2 Q9Y5Y4 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
SCHEMBL136831 1.00 CYP1A2 (0.54) CYP1A2GAACYP2C9PKMCYP2C19
SCHEMBL8089167 1.00 CYP1A2 (0.54) CYP1A2GAACYP2C9PKMCYP2C19
Fluoride SCHEMBL10946418 0.98 CYP1A2 (0.53) CYP1A2GAACYP2C9PKMCYP2C19
Hydrochloric Acid SCHEMBL10943650 0.98 CYP1A2 (0.53) CYP1A2GAACYP2C9PKMCYP2C19
Ammonia Solution, Strong SCHEMBL10963110 0.98 CYP1A2 (0.53) CYP1A2GAACYP2C9PKMCYP2C19
Hydrochloric Acid SCHEMBL11009720 0.98 CYP1A2 (0.53) CYP1A2GAACYP2C9PKMCYP2C19
Methylamine SCHEMBL10969371 0.97 CYP1A2 (0.51) CYP1A2GAACYP2C9PKMCYP2C19
SCHEMBL25212758 0.95 CYP1A2 (0.59) CYP1A2GAACYP2C9PKMCYP2C19
SCHEMBL21057241 0.95 CYP1A2 (0.59) CYP1A2GAACYP2C9PKMCYP2C19
SCHEMBL11597291 0.95 CYP1A2 (0.59) CYP1A2GAACYP2C9PKMCYP2C19

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 7 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
EP-1053679-A1 Herbicidal compositions AVENTIS CROPSCIENCE S.A. (FR) 2000-11-22 EP 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 CYP1A2 2919/4885GAA 2392/4885CYP2C9 1183/4885
US-20200138766-A1 CCL5 INHIBITORS CCL5, CCL11, CCR5 CYP1A2 2919/4885GAA 2392/4885CYP2C9 1183/4885
US-20210196665-A1 CCL5 Inhibitors CCL5, CCL11, CCR5 CYP1A2 2919/4885GAA 2392/4885CYP2C9 1183/4885
US-10940132-B2 CCL5 inhibitors CCL5, CCL11, CCR5 CYP1A2 2919/4885GAA 2392/4885CYP2C9 1183/4885
US-11318111-B2 CCL5 inhibitors CCL5, CCL11, CCR5 CYP1A2 2919/4885GAA 2392/4885CYP2C9 1183/4885
US-20220409566-A1 CCL5 Inhibitors CCL5, CCL11, CCR5 CYP1A2 2919/4885GAA 2392/4885CYP2C9 1183/4885

“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.