SCHEMBL7612976

SCHEMBL7612976

CC(CC(=O)O)c1ccc(I)cc1

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 6/20 0.59
ACHE P22303 1/20 0.46
ALDH1A1 P00352 2/20 0.42
TSHR P16473 1/20 0.42
STAT3 P40763 1/20 0.42
ACACB O00763 1/20 0.41
FFAR4 Q5NUL3 1/20 0.41
TPMT P51580 1/20 0.40
PDPK1 O15530 1/20 0.40
GAA P10253 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
ITGB1 P05556 2/20 0.39
ITGA4 P13612 2/20 0.39
IDO1 P14902 1/20 0.39
CYP3A4 P08684 1/20 0.38
HPGD P15428 1/20 0.38
CYP2C19 P33261 1/20 0.38
RAB9A P51151 1/20 0.38

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
SCHEMBL19361126 0.84 STAT3 (0.46) FFAR1ACHEALDH1A1TSHRSTAT3
SCHEMBL18545313 0.84 STAT3 (0.46) FFAR1ACHEALDH1A1TSHRSTAT3
SCHEMBL11332403 0.83 FFAR1 (0.62) FFAR1ACHEALDH1A1TSHRSTAT3
SCHEMBL1162528 0.82 FFAR1 (0.61) FFAR1ACHEALDH1A1TSHRSTAT3
SCHEMBL7559049 0.82 ACHE (0.67) FFAR1ACHEALDH1A1TSHRSTAT3
SCHEMBL25152959 0.82 ACHE (0.67) FFAR1ACHEALDH1A1TSHRSTAT3
SCHEMBL31522488 0.82 FFAR1 (0.61) FFAR1ACHEALDH1A1TSHRSTAT3
SCHEMBL12883165 0.82 ACHE (0.67) FFAR1ACHEALDH1A1TSHRSTAT3
SCHEMBL13140496 0.82 FFAR1 (0.61) FFAR1ACHEALDH1A1TSHRSTAT3
SCHEMBL237090 0.81 FFAR1 (0.70) FFAR1ALDH1A1CYP3A4HPGDCYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230147035-A1 PROSTATE-SPECIFIC MEMBRANE ANTIGEN TARGETED HIGH-AFFINITY AGENTS FOR ENDORADIOTHERAPY OF PROSTATE CANCER THE JOHNS HOPKINS UNIVERSITY 2023-05-11 US disclosed
EP-1171113-A1 COMPOUNDS USEFUL AS PHOSPHOTYROSINE MIMICS Boehringer Ingelheim Pharmaceuticals, Inc. (US) 2002-01-16 EP disclosed
WO-2000062770-A1 COMPOUNDS USEFUL AS PHOSPHOTYROSINE MIMICS BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2000-10-26 WO 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 (1 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-20230147035-A1 PROSTATE-SPECIFIC MEMBRANE ANTIGEN TARGETED HIGH-AFFINITY AGENTS FOR ENDORADIOTHERAPY OF PROSTATE CANCER KLK3, FOLH1, ASGR1 FFAR1 2656/4885ACHE 4741/4885ALDH1A1 3647/4885

“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.