SCHEMBL5164317

SCHEMBL5164317

CCC(=O)Oc1c(Nc2nc(N(CC)CC)ncc2N(C)S(=O)(=O)c2ccc(F)cc2)cccc1OC(=O)N(C)C

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 11/20 0.38
ITGA4 P13612 11/20 0.38
ITGB7 P26010 9/20 0.38
ITGAV P06756 1/20 0.38
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
ALDH1A1 P00352 2/20 0.33
GAA P10253 2/20 0.33
KDM4E B2RXH2 1/20 0.33
NPC1 O15118 1/20 0.33
GLA P06280 1/20 0.33
RAB9A P51151 1/20 0.33
MAPT P10636 3/20 0.32
HTR2C P28335 1/20 0.31
LMNA P02545 1/20 0.31

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 SCHEMBL2769223 0.99 ITGB1 (0.38) ITGB1ITGA4ITGB7ITGAVMEN1
SCHEMBL2808033 0.94 ITGB1 (0.35) ITGB1ITGA4ITGB7ITGAVALDH1A1
SCHEMBL2769475 0.93 ITGB1 (0.38) ITGB1ITGA4ITGB7ITGAVMEN1
SCHEMBL2809357 0.93 ITGB1 (0.35) ITGB1ITGA4ITGB7ITGAVMEN1
SCHEMBL2770607 0.93 ITGB1 (0.38) ITGB1ITGA4ITGB7ITGAVALDH1A1
SCHEMBL2770852 0.92 ITGB1 (0.40) ITGB1ITGA4ITGB7ITGAVKMT2A
SCHEMBL2769194 0.90 ITGB1 (0.50) ITGB1ITGA4ITGB7ITGAVALDH1A1
SCHEMBL2814333 0.89 ITGB1 (0.35) ITGB1ITGA4ITGB7KMT2AALDH1A1
SCHEMBL2770210 0.89 ITGB1 (0.36) ITGB1ITGA4ITGB7ITGAVALDH1A1
SCHEMBL2771648 0.89 ITGB1 (0.36) ITGB1ITGA4ITGB7ITGAV

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1763361-A2 STEROID SPARING AGENTS AND THEIR USE Elan Pharmaceuticals, Inc. (US) 2007-03-21 EP disclosed
US-20060004019-A1 Steroid sparing agents and methods of using same BIOGEN IDEC INTERNATIONAL HOLDING LTD. (BM) 2006-01-05 US disclosed
WO-2005097162-A2 STEROID SPARING AGENTS AND THEIR USE ELAN PHARMACEUTICALS, INC. (US) 2005-10-20 WO 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 298/4885ITGB7 485/4885

“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.