SCHEMBL29572304

SCHEMBL29572304

C[C@H]([C@H](C(=O)Nc1cc([C@@H](CC(=O)OC(C)(C)C)C2CC2)ccc1Cl)c1ccc(Cl)cc1)C(F)(F)F

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.34
PDK1 Q15118 1/20 0.34
PDK2 Q15119 1/20 0.34
PDK3 Q15120 1/20 0.34
PDK4 Q16654 1/20 0.34
CNR1 P21554 3/20 0.34
FFAR2 O15552 3/20 0.33
IDO1 P14902 2/20 0.33
TDO2 P48775 2/20 0.33
FFAR1 O14842 2/20 0.33
CYP3A4 P08684 1/20 0.33
MEN1 O00255 1/20 0.33
PANK3 Q9H999 1/20 0.33
LMNA P02545 1/20 0.32
TRPV1 Q8NER1 1/20 0.32

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
SCHEMBL13471794 1.00 KMT2A (0.38) KMT2AL3MBTL1PDK1PDK2PDK3
SCHEMBL23509595 1.00 KMT2A (0.38) KMT2AL3MBTL1PDK1PDK2PDK3
SCHEMBL29743253 1.00 KMT2A (0.38) KMT2AL3MBTL1PDK1PDK2PDK3
SCHEMBL28431700 1.00 KMT2A (0.38) KMT2AL3MBTL1PDK1PDK2PDK3
SCHEMBL13471782 0.97 KMT2A (0.37) KMT2AL3MBTL1PDK1PDK2PDK3
SCHEMBL13278489 0.97 KMT2A (0.37) KMT2AL3MBTL1PDK1PDK2PDK3
SCHEMBL24893762 0.93 KMT2A (0.36) KMT2AL3MBTL1PDK1PDK2PDK3
SCHEMBL24893764 0.93 KMT2A (0.36) KMT2AL3MBTL1PDK1PDK2PDK3
SCHEMBL24893760 0.93 KMT2A (0.36) KMT2AL3MBTL1PDK1PDK2PDK3
SCHEMBL24893759 0.93 KMT2A (0.36) KMT2AL3MBTL1PDK1PDK2PDK3

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 KMT2A 4532/4885L3MBTL1 2719/4885PDK1 792/4885
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 KMT2A 4532/4885L3MBTL1 2719/4885PDK1 792/4885

“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.