SCHEMBL23509591

SCHEMBL23509591

CCCCOC(=O)CC(c1ccc(Cl)c(N)c1)C1CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 2/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ ESR1 P03372 1/20 0.39
▸ SLC6A3 Q01959 10/20 0.39
▸ SLC6A2 P23975 8/20 0.39
▸ SLC6A4 P31645 8/20 0.39
▸ NPC1 O15118 2/20 0.37
▸ HPGD P15428 2/20 0.37
▸ RAB9A P51151 2/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ HSD17B10 Q99714 1/20 0.36
▸ CNR1 P21554 1/20 0.36
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ CYP1A2 P05177 2/20 0.35
▸ CYP2C9 P11712 2/20 0.35
▸ CYP2C19 P33261 2/20 0.35
▸ LMNA P02545 2/20 0.35
▸ CYP3A4 P08684 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
SCHEMBL29802478 1.00 L3MBTL1 (0.40) L3MBTL1ALDH1A1TDP1ESR1SLC6A3
SCHEMBL22491782 0.99 L3MBTL1 (0.39) L3MBTL1ALDH1A1TDP1ESR1SLC6A3
SCHEMBL15534311 0.83 ALDH1A1 (0.44) L3MBTL1ALDH1A1TDP1ESR1NPC1
SCHEMBL15533854 0.83 ALDH1A1 (0.44) L3MBTL1ALDH1A1TDP1ESR1NPC1
SCHEMBL23509596 0.81 FFAR1 (0.38) ALDH1A1SLC6A3SLC6A2SLC6A4HPGD
SCHEMBL13278671 0.81 SLC6A3 (0.37) SLC6A3SLC6A2SLC6A4NPC1RAB9A
SCHEMBL30207003 0.81 SLC6A3 (0.37) SLC6A3SLC6A2SLC6A4NPC1RAB9A
SCHEMBL22491768 0.81 SLC6A3 (0.37) SLC6A3SLC6A2SLC6A4NPC1RAB9A
SCHEMBL22491762 0.78 FFAR1 (0.55) ALDH1A1SLC6A3SLC6A2SLC6A4SMN1; SMN2
SCHEMBL14797824 0.78 FFAR1 (0.55) ALDH1A1SLC6A3SLC6A2SLC6A4SMN1; SMN2

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 L3MBTL1 2719/4885ALDH1A1 1277/4885TDP1 3287/4885
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 L3MBTL1 2719/4885ALDH1A1 1277/4885TDP1 3287/4885

“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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