SCHEMBL20943291

SCHEMBL20943291

NCc1ccc(CC(F)C(=O)O)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FFAR1 O14842 2/20 0.47
▸ SLC7A5 Q01650 2/20 0.44
▸ PTGS1 P23219 2/20 0.42
▸ ALPI P09923 1/20 0.42
▸ PKM P14618 1/20 0.42
▸ XIAP P98170 1/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ LOXL2 Q9Y4K0 3/20 0.41
▸ ABAT P80404 1/20 0.41
▸ TPSAB1 Q15661 2/20 0.41
▸ HDAC3 O15379 1/20 0.41
▸ HDAC6 Q9UBN7 1/20 0.41
▸ NCOR2 Q9Y618 1/20 0.41
▸ GRB2 P62993 1/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ ANPEP P15144 1/20 0.40
▸ ERAP1 Q9NZ08 1/20 0.40
▸ HRH3 Q9Y5N1 1/20 0.39
▸ BACE1 P56817 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
SCHEMBL14540740 0.84 SLC7A5 (0.44) FFAR1SLC7A5PTGS1ALPIPKM
SCHEMBL5313887 0.84 SLC7A5 (0.44) FFAR1SLC7A5PTGS1ALPIPKM
SCHEMBL14540739 0.82 SLC7A5 (0.60) FFAR1SLC7A5ESR1
SCHEMBL5306700 0.82 SLC7A5 (0.60) FFAR1SLC7A5ESR1
SCHEMBL14541035 0.82 SLC7A5 (0.60) FFAR1SLC7A5ESR1
SCHEMBL246475 0.81 CYP1A2 (0.61) SLC7A5PTGS1ALPIPKMXIAP
SCHEMBL25210806 0.80 PPARG (0.54) —
SCHEMBL7419589 0.80 PPARG (0.47) FFAR1PTGS1SMN1; SMN2LMNAALB
SCHEMBL12266029 0.80 PPARG (0.47) FFAR1PTGS1SMN1; SMN2LMNAALB
Ammonia Solution, Strong SCHEMBL38660546 0.79 CYP1A2 (0.59) SLC7A5PTGS1ALPIPKMXIAP

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
EP-3476829-B1 BIARYL UREA DERIVATIVE OR SALT THEREOF, AND MANUFACTURING AND APPLICATION OF SAME UNIV FUDAN (CN) 2021-12-15 — — EP disclosed
US-10851050-B2 Biaryl urea derivative or salt thereof and preparation process and use for the same FUDAN UNIVERSITY (CN) 2020-12-01 — — US disclosed
US-20200239411-A1 BIARYL UREA DERIVATIVE OR SALT THEREOF AND PREPARATION PROCESS AND USE FOR THE SAME UNIV FUDAN (CN) 2020-07-30 — — US disclosed
US-10647665-B2 Biaryl urea derivative or salt thereof and preparation process and use for the same FUDAN UNIVERSITY (CN) 2020-05-12 — — US disclosed
US-20190248737-A1 BIARYL UREA DERIVATIVE OR SALT THEREOF AND PREPARATION PROCESS AND USE FOR THE SAME FUDAN UNIVERSITY (CN) 2019-08-15 — — US disclosed
EP-3476829-A1 BIARYL UREA DERIVATIVE OR SALT THEREOF, AND MANUFACTURING AND APPLICATION OF SAME Fudan University (CN) 2019-05-01 — — 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 (4 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-20200239411-A1 BIARYL UREA DERIVATIVE OR SALT THEREOF AND PREPARATION PROCESS AND USE FOR THE SAME RORC, RORB, RORA FFAR1 849/4885SLC7A5 3969/4885PTGS1 3235/4885
US-20190248737-A1 BIARYL UREA DERIVATIVE OR SALT THEREOF AND PREPARATION PROCESS AND USE FOR THE SAME RORC, RORB, RORA FFAR1 702/4885SLC7A5 3757/4885PTGS1 3251/4885
US-10647665-B2 Biaryl urea derivative or salt thereof and preparation process and use for the same RORC, RORB, RORA FFAR1 702/4885SLC7A5 3757/4885PTGS1 3251/4885
US-10851050-B2 Biaryl urea derivative or salt thereof and preparation process and use for the same RORC, RORB, RORA FFAR1 849/4885SLC7A5 3969/4885PTGS1 3235/4885

“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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