SCHEMBL27218352

SCHEMBL27218352

N#Cc1cc(C(=O)O)c(F)c(C(F)(F)F)c1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ XDH P47989 5/20 0.45
▸ SLC22A12 Q96S37 5/20 0.45
▸ TAS2R14 Q9NYV8 3/20 0.43
▸ MRGPRX4 Q96LA9 2/20 0.40
▸ TRPV4 Q9HBA0 1/20 0.40
▸ ASPH Q12797 1/20 0.39
▸ TMPRSS4 Q9NRS4 1/20 0.39
▸ KIF11 P52732 1/20 0.38
▸ P4HB P07237 2/20 0.37
▸ RXRA P19793 1/20 0.37
▸ RXRG P48443 1/20 0.37
▸ MAP2K1 Q02750 1/20 0.35

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
SCHEMBL1417702 0.79 TRPV4 (0.53) XDHSLC22A12TAS2R14MRGPRX4TRPV4
SCHEMBL31171336 0.79 MAP2K1 (0.41) XDHSLC22A12TAS2R14MAP2K1
SCHEMBL3171347 0.74 KIF11 (0.49) TRPV4KIF11P4HB
SCHEMBL2387492 0.74 ASPH (0.46) TAS2R14ASPH
SCHEMBL25111974 0.74 EPRS1 (0.46) TAS2R14ASPH
SCHEMBL8389880 0.74 ASPH (0.42) TAS2R14ASPHMAP2K1
SCHEMBL29334051 0.74 ASPH (0.42) TAS2R14ASPH
SCHEMBL30483541 0.74 EPRS1 (0.46) TAS2R14ASPH
SCHEMBL24566862 0.74 KDM4E (0.43) ASPH
SCHEMBL7566278 0.70 P4HB (0.46) XDHSLC22A12TAS2R14MRGPRX4TRPV4

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-20240158368-A1 Pyrrolidine Main Protease Inhibitors as Antiviral Agents ABBVIE INC. (US) 2024-05-16 — — US disclosed
WO-2024081351-A1 PYRROLIDINE MAIN PROTEASE INHIBITORS AS ANTIVIRAL AGENTS ABBVIE INC. (US) 2024-04-18 — — 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-20240158368-A1 Pyrrolidine Main Protease Inhibitors as Antiviral Agents PREP, PEPD, DNPEP XDH 2923/4885SLC22A12 4488/4885TAS2R14 2689/4885

“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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