SCHEMBL29573070

SCHEMBL29573070

Nc1cc([C@@H](CC(=O)O)C2CC2)ccc1Cl.OC1CCc2ccccc21

nearest known ligand 0.46

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ FFAR1 O14842 17/20 0.46
▸ HSD11B1 P28845 2/20 0.41
▸ FFAR2 O15552 1/20 0.37

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
SCHEMBL14797824 0.84 FFAR1 (0.55) FFAR1FFAR2
SCHEMBL22491762 0.84 FFAR1 (0.55) FFAR1FFAR2
Hydrochloric Acid SCHEMBL22491792 0.83 FFAR1 (0.54) FFAR1FFAR2
Hydrochloric Acid SCHEMBL22491794 0.83 FFAR1 (0.54) FFAR1FFAR2
SCHEMBL14798077 0.80 FFAR1 (0.49) FFAR1FFAR2
SCHEMBL23493508 0.72 FFAR1 (0.42) FFAR1FFAR2
SCHEMBL23509596 0.71 FFAR1 (0.38) FFAR1
SCHEMBL22491768 0.68 SLC6A3 (0.37) FFAR1
SCHEMBL30207003 0.68 SLC6A3 (0.37) FFAR1
SCHEMBL13278671 0.68 SLC6A3 (0.37) FFAR1

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-20220234996-A1 Method for Producing (3S)-3-(4-chloro-3-{[(2S,3R)-2-(4-chlorophenyl)-4,4,4-trifluoro-3-methylbutanoyl]amino}phenyl)-3-cyclo-propylpropanoic Acid and the Crystalline Form Thereof for Use as a Pharmaceutical Ingredient BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2022-07-28 — — US disclosed
US-11332435-B2 Method for producing (3S)-3-(4-chloro-3-{[(2S,3R)-2-(4- chlorophenyl)-4,4,4-trifluoro-3-methylbutanoyl]amino}phenyl)-3-cyclo-propylpropanoic acid and the crystalline form thereof for use as a pharmaceutical ingredient BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2022-05-17 — — 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 (2 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-20220234996-A1 Method for Producing (3S)-3-(4-chloro-3-{[(2S,3R)-2-(4-chlorophenyl)-4,4,4-trifluoro-3-methylbutanoyl]amino}phenyl)-3-cyclo-propylpropanoic Acid and the Crystalline Form Thereof for Use as a Pharmaceutical Ingredient FABP3, PCCA, HMGCR FFAR1 108/4885HSD11B1 281/4885FFAR2 75/4885
US-11332435-B2 Method for producing (3S)-3-(4-chloro-3-{[(2S,3R)-2-(4- chlorophenyl)-4,4,4-trifluoro-3-methylbutanoyl]amino}phenyl)-3-cyclo-propylpropanoic acid and the crystalline form thereof for use as a pharmaceutical ingredient FABP3, PCCA, HMGCR FFAR1 108/4885HSD11B1 281/4885FFAR2 75/4885

“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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