SCHEMBL23680933

SCHEMBL23680933

COc1ccnc(C(=O)N[C@@H](C)C(=O)OC2CCC2(Cc2ccccc2)c2ccc(F)cc2)c1O

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ITGA4 P13612 4/20 0.34
ITGB7 P26010 4/20 0.34
ITGB1 P05556 3/20 0.34
KCNA3 P22001 2/20 0.34
ALDH1A1 P00352 1/20 0.34
ATM Q13315 1/20 0.33
CTSA P10619 1/20 0.33
MAOA P21397 1/20 0.33
TSHR P16473 1/20 0.32
OPRL1 P41146 1/20 0.32
AXL P30530 2/20 0.32
RECQL P46063 1/20 0.32
MAPT P10636 1/20 0.32
TDP1 Q9NUW8 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
SCHEMBL29501751 0.90 TSHR (0.33) ITGA4ITGB7ITGB1KCNA3CTSA
SCHEMBL23680942 0.90 TSHR (0.33) ITGA4ITGB7ITGB1KCNA3CTSA
SCHEMBL29501789 0.89 TSHR (0.32) KCNA3MAOATSHRAXL
SCHEMBL23680946 0.89 TSHR (0.32) KCNA3MAOATSHRAXL
SCHEMBL29501723 0.84 MET (0.33) KCNA3MAOATSHRAXL
SCHEMBL29501749 0.84 MET (0.33) MAOATSHRAXL
SCHEMBL23680929 0.84 MET (0.33) KCNA3MAOATSHRAXL
SCHEMBL23680940 0.84 MET (0.33) MAOATSHRAXL
SCHEMBL23680926 0.82 MET (0.32) MAOATSHRAXL
SCHEMBL29501743 0.82 MET (0.32) MAOATSHRAXL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210227826-A1 Microbiocidal Picolinamide Derivatives SYNGENTA PARTICIPATIONS AG (CH) 2021-07-29 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 (1 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-20210227826-A1 Microbiocidal Picolinamide Derivatives CASP2, CASP1, MSR1 ITGA4 3316/4885ITGB7 3153/4885ITGB1 3205/4885

“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.