SCHEMBL23509596

SCHEMBL23509596

Nc1cc(C(CC(=O)OP)C2CC2)ccc1Cl

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ FFAR1 O14842 5/20 0.38
▸ SLC6A3 Q01959 11/20 0.38
▸ SLC6A2 P23975 9/20 0.38
▸ SLC6A4 P31645 9/20 0.38
▸ KDM4E B2RXH2 2/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33

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
SCHEMBL22491768 0.84 SLC6A3 (0.37) FFAR1SLC6A3SLC6A2SLC6A4
SCHEMBL30207003 0.84 SLC6A3 (0.37) FFAR1SLC6A3SLC6A2SLC6A4
SCHEMBL13278671 0.84 SLC6A3 (0.37) FFAR1SLC6A3SLC6A2SLC6A4
SCHEMBL22491762 0.84 FFAR1 (0.55) FFAR1SLC6A3SLC6A2SLC6A4ALDH1A1
SCHEMBL14797824 0.84 FFAR1 (0.55) FFAR1SLC6A3SLC6A2SLC6A4ALDH1A1
Hydrochloric Acid SCHEMBL22491794 0.83 FFAR1 (0.54) FFAR1SLC6A3SLC6A2SLC6A4ALDH1A1
Hydrochloric Acid SCHEMBL22491792 0.83 FFAR1 (0.54) FFAR1SLC6A3SLC6A2SLC6A4ALDH1A1
SCHEMBL29802478 0.81 L3MBTL1 (0.40) SLC6A3SLC6A2SLC6A4ALDH1A1HPGD
SCHEMBL23509591 0.81 L3MBTL1 (0.40) SLC6A3SLC6A2SLC6A4ALDH1A1HPGD
SCHEMBL22491782 0.80 L3MBTL1 (0.39) SLC6A3SLC6A2SLC6A4ALDH1A1HPGD

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-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
US-20210179541-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) 2021-06-17 — — 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-20210179541-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 108/4885SLC6A3 1802/4885SLC6A2 3025/4885
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 108/4885SLC6A3 1802/4885SLC6A2 3025/4885

“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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