Known targets — ChEMBL curated mechanism
ABL1BMXBRAFBTKCHRNA4CHRNB2CSNK1EEGFRERBB2F10FLT1FLT3FLT4IGF1RINSRITKJAK3KDRKITOPRM1PARP1PARP2PDGFRBPIK3CDRAF1RETSLC18A2TECTXKdacAdacBdacCftsImrcAmrcBmrdArplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PHGDH | O43175 | 4/20 | 0.37 |
| ▸ | MMP13 | P45452 | 1/20 | 0.35 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.35 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.35 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.34 |
| ▸ | RABGGTB | P53611 | 1/20 | 0.33 |
| ▸ | RABGGTA | Q92696 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.32 |
| ▸ | HTR4 | Q13639 | 1/20 | 0.32 |
| ▸ | STS | P08842 | 1/20 | 0.31 |
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.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL13278671 | 0.88 | SLC6A3 (0.37) | SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL30207003 | 0.88 | SLC6A3 (0.37) | SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL22491768 | 0.88 | SLC6A3 (0.37) | SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL23493508 | 0.86 | FFAR1 (0.42) | SLC6A2SLC6A4SLC6A3CYP1A2CYP2C19 | |
| SCHEMBL29743257 | 0.84 | SLC6A3 (0.39) | SLC6A2SLC6A4SLC6A3ALDH1A1 | |
| SCHEMBL13471811 | 0.84 | SLC6A3 (0.39) | SLC6A2SLC6A4SLC6A3ALDH1A1 | |
| SCHEMBL23493509 | 0.84 | SLC6A2 (0.38) | SLC6A2SLC6A4SLC6A3CYP1A2CYP2C19 | |
| SCHEMBL13471789 | 0.78 | KDM4E (0.34) | SLC6A2SLC6A4SLC6A3ALOX15 | |
| SCHEMBL24893861 | 0.76 | AAK1 (0.40) | — | |
| SCHEMBL28894085 | 0.75 | FFAR1 (0.35) | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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 |
| 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 |
| EP-3717480-A1 | METHOD FOR PRODUCING (3S)-3-(4-CHLOR-3-{[(2S,3R)-2-(4-CHLORPHENYL)-4,4,4-TRIFLUOR-3-METHYLBUTANOYL]AMINO}PHENYL)-3-CYCLO-PROPYLPROPANOIC ACID AND THE CRYSTALLINE FORM THEREOF FOR USE AS A PHARMACEUTICAL INGREDIENT | Bayer Pharma Aktiengesellschaft (DE) | 2020-10-07 | — | — | EP | disclosed |
| CN-111433204-A | Process for the preparation of (3S) -3- (4-chloro-3- { [ (2S,3R) -2- (4-chlorophenyl) -4,4, 4-trifluoro-3-methylbutyryl ] amino } phenyl) -3-cyclopropylpropionic acid and crystalline forms thereof for use as a pharmaceutically active substance | 拜耳制药股份公司 | 2020-07-17 | — | — | CN | 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 (3 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.
| Patent | Title | Text reads most about | Predicted 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 | PHGDH 285/4885MMP13 1212/4885SLC6A2 3025/4885 |
| 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 | PHGDH 285/4885MMP13 1212/4885SLC6A2 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 | PHGDH 285/4885MMP13 1212/4885SLC6A2 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.