SCHEMBL25599307

SCHEMBL25599307

C=C1CC(C)CC(CC[C@H](NC(=O)c2ccc3cc(F)ccc3c2OCc2ccc(Cl)c(Cl)c2)C(=O)O)C1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 4/20 0.34
ITGB3 P05106 3/20 0.34
ITGAV P06756 3/20 0.34
ITGA5 P08648 3/20 0.34
SSTR3 P32745 2/20 0.34
PRSS1 P07477 1/20 0.32
PRSS2 P07478 1/20 0.32
PRSS3 P35030 1/20 0.32
TPSAB1 Q15661 1/20 0.32
ITGA4 P13612 1/20 0.32
ITGB7 P26010 1/20 0.32
S1PR1 P21453 3/20 0.32
S1PR5 Q9H228 3/20 0.32
PDE5A O76074 1/20 0.31
GLP1R P43220 1/20 0.31
SCN9A Q15858 1/20 0.31
HTR2A P28223 1/20 0.31
KCNH2 Q12809 1/20 0.31
SIGMAR1 Q99720 1/20 0.31
GLA P06280 2/20 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
SCHEMBL25599493 0.91 CXCR2 (0.36) SSTR3GLAGAAALDH1A1HPGD
SCHEMBL25599311 0.89 ITGB3 (0.32) ITGB1ITGB3ITGAVITGA5
SCHEMBL25599487 0.88 GPR132 (0.34) ITGB1ITGB3ITGAVITGA5
SCHEMBL25599317 0.87 CXCR2 (0.37) ITGB1ITGB3ITGAVITGA5
SCHEMBL25599265 0.85 ACACB (0.34) ITGB1ITGB3ITGAVITGA5
SCHEMBL25599194 0.84 ITGAV (0.36) ITGB1ITGAVITGA4
SCHEMBL25599395 0.84 ACACB (0.32) ITGB1ITGB3ITGAVITGA5
SCHEMBL25599095 0.83 ACACB (0.34) ITGB1ITGB3ITGAVITGA5SCN9A
SCHEMBL25599229 0.82 CXCR2 (0.41)
SCHEMBL25599423 0.82 CXCR2 (0.41)

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-20230159439-A1 ARYLAMIDES AND METHODS OF USE THEREOF GENZYME CORPORATION 2023-05-25 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-20230159439-A1 ARYLAMIDES AND METHODS OF USE THEREOF CFTR, AADAC, ARSA ITGB1 4082/4885ITGB3 3195/4885ITGAV 3771/4885

“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.