SCHEMBL6038349

SCHEMBL6038349

CCC(=O)Oc1c(Nc2nc(N(CC)CC)ncc2NS(=O)(=O)c2ccc(F)cc2)cccc1OC(=O)N(C)C

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 5/20 0.38
ITGA4 P13612 5/20 0.38
CACNA1H O95180 1/20 0.38
CACNA1B Q00975 1/20 0.38
GLO1 Q04760 1/20 0.36
METAP2 P50579 4/20 0.35
PTK2 Q05397 2/20 0.35
ALDH1A1 P00352 2/20 0.35
ITGB7 P26010 3/20 0.34
ITGAV P06756 1/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
BTK Q06187 1/20 0.34
KDM4E B2RXH2 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
Hydrochloric Acid SCHEMBL4192130 0.89 ITGB1 (0.37) ITGB1ITGA4ALDH1A1ITGB7ITGAV
SCHEMBL5164317 0.88 ITGB1 (0.38) ITGB1ITGA4ALDH1A1ITGB7ITGAV
Hydrochloric Acid SCHEMBL2769223 0.87 ITGB1 (0.38) ITGB1ITGA4ALDH1A1ITGB7ITGAV
SCHEMBL4196939 0.85 ITGB1 (0.36) ITGB1ITGA4ALDH1A1ITGB7ITGAV
SCHEMBL2770607 0.85 ITGB1 (0.38) ITGB1ITGA4ALDH1A1ITGB7ITGAV
SCHEMBL4210082 0.84 ITGB1 (0.37) ITGB1ITGA4ALDH1A1ITGB7ITGAV
SCHEMBL2770852 0.84 ITGB1 (0.40) ITGB1ITGA4ALDH1A1ITGB7ITGAV
SCHEMBL2808033 0.83 ITGB1 (0.35) ITGB1ITGA4ALDH1A1ITGB7ITGAV
SCHEMBL4204707 0.83 ITGB1 (0.36) ITGB1ITGA4ITGB7
SCHEMBL2769194 0.82 ITGB1 (0.50) ITGB1ITGA4ALDH1A1ITGB7ITGAV

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-20060004019-A1 Steroid sparing agents and methods of using same BIOGEN IDEC INTERNATIONAL HOLDING LTD. (BM) 2006-01-05 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-20060004019-A1 Steroid sparing agents and methods of using same IL5, FCER2, CD40 ITGB1 305/4885ITGA4 298/4885CACNA1H 4633/4885

“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.