SCHEMBL21937640

SCHEMBL21937640

CCCS(=O)(=O)c1cc(C(C)C)ncn1

nearest known ligand 0.36

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 2/20 0.36
ITGA4 P13612 2/20 0.36
LOXL2 Q9Y4K0 1/20 0.33
LMNA P02545 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
SCHEMBL5363369 0.84 LOXL2 (0.40) ITGB1ITGA4LOXL2LMNA
SCHEMBL21853322 0.76 ITGB1 (0.38) ITGB1ITGA4LOXL2LMNA
SCHEMBL26971207 0.75 CDK2 (0.37) ITGB1ITGA4LOXL2LMNA
SCHEMBL786348 0.69 NOS3 (0.36) LMNA
SCHEMBL23030905 0.66
SCHEMBL22191949 0.65
SCHEMBL23030957 0.65
SCHEMBL12963755 0.65 HRH4 (0.34)
SCHEMBL29296706 0.65 JAK2 (0.41) LOXL2
SCHEMBL17702570 0.65 LMNA (0.31) LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11396506-B2 Amino acid compounds with unbranched linkers and methods of use PLIANT THERAPEUTICS, INC. (US) 2022-07-26 US 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 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-11396506-B2 Amino acid compounds with unbranched linkers and methods of use ITGA2B, ITGB6, ITGB1 ITGB1 3/4885ITGA4 17/4885LOXL2 3376/4885
US-20220144829-A1 AMINO ACID COMPOUNDS AND METHODS OF USE ITGB6, ITGA1, ITGAL ITGB1 4/4885ITGA4 14/4885LOXL2 888/4885
US-20200109141-A1 AMINO ACID COMPOUNDS AND METHODS OF USE ITGB6, ITGA1, ITGAL ITGB1 4/4885ITGA4 14/4885LOXL2 888/4885
US-11180494-B2 Substituted amino acids as integrin inhibitors ITGB6, ITGA1, ITGB1 ITGB1 3/4885ITGA4 14/4885LOXL2 1067/4885

“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.