SCHEMBL24444287

SCHEMBL24444287

Cc1nc2cccc(O[C@H]3CC[C@H](NC(=O)CO[C@@H]4C[C@H](C)CCC4C(C)C)CC3)c2c(N)c1C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ P2RX4 Q99571 1/20 0.42
▸ SERPINE1 P05121 17/20 0.41
▸ SMYD3 Q9H7B4 1/20 0.37
▸ LDHA P00338 1/20 0.36

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
SCHEMBL17878859 1.00 P2RX4 (0.42) P2RX4SERPINE1SMYD3LDHA
SCHEMBL17740920 0.88 SMYD3 (0.42) SMYD3LDHA
SCHEMBL17876842 0.86 P2RX4 (0.44) P2RX4SERPINE1LDHA
SCHEMBL31670269 0.84 ALDH1A1 (0.43) P2RX4SERPINE1
SCHEMBL626788 0.84 ALDH1A1 (0.43) P2RX4SERPINE1
SCHEMBL19901701 0.84 ALDH1A1 (0.43) P2RX4SERPINE1
SCHEMBL17740896 0.84 SMYD3 (0.42) SMYD3LDHA
SCHEMBL17740898 0.84 SMYD3 (0.42) SMYD3LDHA
SCHEMBL17740897 0.84 SMYD3 (0.42) SMYD3LDHA
SCHEMBL17740900 0.83 SMYD3 (0.42) SMYD3LDHA

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-20240065302-A1 SWEETENER COMPOSITIONS COMPRISING MOGROSIDES AND USES THEREOF FIRMENICH INCORPORATED 2024-02-29 — — US disclosed
US-11339128-B2 Substituted 4-amino-5-(cyclohexyloxy)quinoline-3-carboxylic acids as sweet flavor modifiers FIRMENICH INCORPORATED (US) 2022-05-24 — — 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 (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-11339128-B2 Substituted 4-amino-5-(cyclohexyloxy)quinoline-3-carboxylic acids as sweet flavor modifiers TAS2R5, TAS2R4, TAS2R30 P2RX4 592/4885SERPINE1 2046/4885SMYD3 1526/4885

“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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