SCHEMBL4414201

SCHEMBL4414201

CCC(CC(F)(F)F)C(N)=O

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CA2 P00918 4/20 0.48
CA1 P00915 3/20 0.48
SLC1A3 P43003 1/20 0.34
SLC1A2 P43004 1/20 0.34
SLC1A1 P43005 1/20 0.34
USP2 O75604 1/20 0.33
TSHR P16473 1/20 0.33
MAPK1 P28482 1/20 0.31
LAP3 P28838 1/20 0.30

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
Hydrochloric Acid SCHEMBL5707322 0.98 CA2 (0.47) CA2CA1SLC1A3SLC1A2SLC1A1
SCHEMBL3990465 0.85 CA1 (0.34) CA2CA1
SCHEMBL27343088 0.83 CA1 (0.45) CA2CA1SLC1A3SLC1A2SLC1A1
Hydrochloric Acid SCHEMBL28191311 0.82 CA1 (0.37) CA2CA1SLC1A3SLC1A2SLC1A1
SCHEMBL12895596 0.81 CA2 (0.58) CA2CA1SLC1A3SLC1A2SLC1A1
SCHEMBL19895753 0.79 CA2 (0.62) CA2CA1SLC1A3SLC1A2SLC1A1
SCHEMBL500233 0.79 CA2 (0.46) CA2CA1SLC1A3SLC1A2SLC1A1
SCHEMBL20788560 0.77 USP2 (0.38) CA2CA1SLC1A3SLC1A2SLC1A1
Trifluoroacetic Acid SCHEMBL8367842 0.77 CA2 (0.48) CA2CA1SLC1A3SLC1A2SLC1A1
SCHEMBL27868293 0.77 CA1 (0.30) CA2CA1

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101454330-A Hydroxylated amide skin moisturizer OREAL (FR) 2009-06-10 CN claimed
EP-2021345-A1 HYDROXYLATED AMIDE SKIN MOISTURIZER L'Oreal (FR) 2009-02-11 EP claimed
WO-2007137925-A1 HYDROXYLATED AMIDE SKIN MOISTURIZER L'OREAL (FR) 2007-12-06 WO claimed
WO-2024030651-A1 GPX4 INHIBITORS AND USE THEREOF SONATA THERAPEUTICS, INC. (US) 2024-02-08 WO disclosed
US-20220144829-A1 AMINO ACID COMPOUNDS AND METHODS OF USE PLIANT THERAPEUTICS, INC. 2022-05-12 US disclosed
US-11180494-B2 Substituted amino acids as integrin inhibitors PLIANT THERAPEUTICS, INC. (US) 2021-11-23 US disclosed
US-20200109141-A1 AMINO ACID COMPOUNDS AND METHODS OF USE PLIANT THERAPEUTICS, INC. 2020-04-09 US disclosed
CN-106432311-A Processes and intermediates for producing azaindoles 沃泰克斯药物股份有限公司 2017-02-22 CN disclosed
CN-106336413-A Compounds used as JAK inhibitor, and use of compounds 广东东阳光药业有限公司 2017-01-18 CN disclosed
EP-2763535-A1 AZAINDOLES AS JANUS KINASE INHIBITORS Merck Sharp & Dohme Corp. (US) 2014-08-13 EP disclosed
WO-2013052355-A1 AZAINDOLES AS JANUS KINASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2013-04-11 WO disclosed
EP-2021345-A1 HYDROXYLATED AMIDE SKIN MOISTURIZER L'Oreal (FR) 2009-02-11 EP disclosed
WO-2007137925-A1 HYDROXYLATED AMIDE SKIN MOISTURIZER L'OREAL (FR) 2007-12-06 WO disclosed
CN-1046524-C Cephalosporin derivatives HOFFMANN LA ROCHE (CH) 1999-11-17 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.

PatentTitleText reads most aboutPredicted target · text-rank
US-20220144829-A1 AMINO ACID COMPOUNDS AND METHODS OF USE ITGB6, ITGA1, ITGAL CA2 3741/4885CA1 3778/4885SLC1A3 147/4885
US-20200109141-A1 AMINO ACID COMPOUNDS AND METHODS OF USE ITGB6, ITGA1, ITGAL CA2 3741/4885CA1 3778/4885SLC1A3 147/4885
US-11180494-B2 Substituted amino acids as integrin inhibitors ITGB6, ITGA1, ITGB1 CA2 4386/4885CA1 4552/4885SLC1A3 408/4885

“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.