SCHEMBL7147400

SCHEMBL7147400

CC(C)c1ccccc1-c1cc(Sc2cc(-c3ccccc3C(C)C)c([C@@H]3C[C@H]3C(=O)NCCCC(=O)O)c(Cl)c2Cl)c(Cl)c(Cl)c1[C@@H]1C[C@H]1C(=O)NCCCC(=O)O

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB2 P05107 8/20 0.67
ICAM1 P05362 8/20 0.67
ITGAL P20701 8/20 0.67
SIGMAR1 Q99720 4/20 0.40
CA12 O43570 2/20 0.36
CA1 P00915 2/20 0.36
CA2 P00918 2/20 0.36
CA3 P07451 2/20 0.36
CA4 P22748 2/20 0.36
CA6 P23280 2/20 0.36
CA7 P43166 2/20 0.36
CA13 Q8N1Q1 2/20 0.36
CA9 Q16790 1/20 0.36
CA14 Q9ULX7 1/20 0.36
CA5B Q9Y2D0 1/20 0.36
CDC25A P30304 1/20 0.34
CDC25B P30305 1/20 0.34
DGAT2 Q96PD7 1/20 0.33
TLR2 O60603 1/20 0.33
TLR1 Q15399 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
SCHEMBL7146694 0.95 ITGB2 (0.66) ITGB2ICAM1ITGALSIGMAR1FFAR1
SCHEMBL7146813 0.86 ITGB2 (0.51) ITGB2ICAM1ITGALSIGMAR1FFAR1
SCHEMBL7143429 0.83 ITGB2 (0.46) ITGB2ICAM1ITGALFFAR1
SCHEMBL7150944 0.76 ITGB2 (0.52) ITGB2ICAM1ITGALSIGMAR1
SCHEMBL7144904 0.75 ITGB2 (0.51) ITGB2ICAM1ITGAL
SCHEMBL7141565 0.72 ITGB2 (0.68) ITGB2ICAM1ITGALFFAR1
SCHEMBL7170389 0.70 ITGB2 (0.75) ITGB2ICAM1ITGALSIGMAR1DGAT2
SCHEMBL7165511 0.67 ITGB2 (0.50) ITGB2ICAM1ITGALFFAR1
SCHEMBL7147405 0.66 ITGB2 (0.61) ITGB2ICAM1ITGALCA12CA1
SCHEMBL7143425 0.61 ITGAL (0.74) ITGB2ICAM1ITGAL

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
US-20020156314-A1 Aryl phenylcyclopropyl sulfide derivatives and their use as cell adhesion inhibiting anti-inflammatory and immune suppressive agents ICOS CORPORATION 2002-10-24 US claimed
US-6521619-B2 Bind to the interaction-domain of integrin lfa-1 interrupting enothelial cell-leukocyte adhesion ICOS CORPORATION 2003-02-18 US disclosed
US-20020156314-A1 Aryl phenylcyclopropyl sulfide derivatives and their use as cell adhesion inhibiting anti-inflammatory and immune suppressive agents ICOS CORPORATION 2002-10-24 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-20020156314-A1 Aryl phenylcyclopropyl sulfide derivatives and their use as cell adhesion inhibiting anti-inflammatory and immune suppressive agents ICAM1, VCAM1, CD47 ITGB2 120/4885ICAM1 1/4885ITGAL 166/4885

“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.