SCHEMBL4210082

SCHEMBL4210082

CCC(=O)Oc1c(Nc2nc(N(CC)CC)ncc2NCS(=O)(=O)c2cccc(F)c2)cccc1OC(=O)N(C)C

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 9/20 0.37
ITGA4 P13612 9/20 0.37
ITGB7 P26010 6/20 0.37
BRAF P15056 1/20 0.31
ALDH1A1 P00352 2/20 0.31
KDM4E B2RXH2 1/20 0.31
NPC1 O15118 1/20 0.31
GLA P06280 1/20 0.31
GAA P10253 1/20 0.31
RAB9A P51151 1/20 0.31
FLT1 P17948 1/20 0.30
FLT4 P35916 1/20 0.30
KDR P35968 1/20 0.30
HTR6 P50406 1/20 0.30
ITGAV P06756 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
SCHEMBL4196939 0.95 ITGB1 (0.36) ITGB1ITGA4ITGB7BRAFALDH1A1
Hydrochloric Acid SCHEMBL4192130 0.93 ITGB1 (0.37) ITGB1ITGA4ITGB7BRAFALDH1A1
SCHEMBL4204707 0.91 ITGB1 (0.36) ITGB1ITGA4ITGB7BRAF
SCHEMBL4203924 0.89 ITGB1 (0.35) ITGB1ITGA4ITGB7ALDH1A1
SCHEMBL4196190 0.89 ITGB1 (0.36) ITGB1ITGA4ITGB7BRAF
SCHEMBL2769475 0.87 ITGB1 (0.38) ITGB1ITGA4ITGB7BRAFALDH1A1
SCHEMBL4203929 0.85 ITGB1 (0.35) ITGB1ITGA4ITGB7BRAF
SCHEMBL4195563 0.85 ITGB1 (0.35) ITGB1ITGA4ITGB7BRAFITGAV
SCHEMBL6038349 0.84 ITGB1 (0.38) ITGB1ITGA4ITGB7ALDH1A1KDM4E
SCHEMBL2808033 0.83 ITGB1 (0.35) ITGB1ITGA4ITGB7BRAFALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8269009-B2 Methods and compositions for treating liquid tumors ELAN PHARMACEUTICALS, INC. (US) 2012-09-18 US disclosed
US-20090312353-A1 Methods and compositions for treating liquid tumors ELAN PHARMACEUTICALS, INC. 2009-12-17 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-20090312353-A1 Methods and compositions for treating liquid tumors ITGB4, ITGA4, ITGB3 ITGB1 4/4885ITGA4 2/4885ITGB7 13/4885

“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.