SCHEMBL7141580

SCHEMBL7141580

CC(C)c1ccccc1-c1cc(Sc2cc(-c3ccccc3C(C)C)c([C@@H]3C[C@H]3C(=O)N3CCC(C(=O)O)CC3)c(Cl)c2Cl)c(Cl)c(Cl)c1[C@@H]1C[C@H]1C(=O)N1CCC(C(=O)O)CC1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGAL P20701 13/20 0.67
ITGB2 P05107 12/20 0.67
ICAM1 P05362 12/20 0.67
HRH3 Q9Y5N1 2/20 0.38
FFAR1 O14842 1/20 0.36
RAB9A P51151 1/20 0.36
MAPT P10636 2/20 0.36
KMT2A Q03164 2/20 0.36
APAF1 O14727 1/20 0.36
NSD2 O96028 1/20 0.36
POLB P06746 1/20 0.36
THRB P10828 1/20 0.36
CASP3 P42574 1/20 0.36
RECQL P46063 1/20 0.36
GALK1 P51570 1/20 0.36
HKDC1 Q2TB90 1/20 0.36
SENP8 Q96LD8 1/20 0.36
SENP7 Q9BQF6 1/20 0.36
SENP6 Q9GZR1 1/20 0.36
SAE1 Q9UBE0 1/20 0.36

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
SCHEMBL7145900 0.90 ITGB2 (0.52) ITGALITGB2ICAM1HRH3MAPT
SCHEMBL7150944 0.90 ITGB2 (0.52) ITGALITGB2ICAM1HRH3MAPT
SCHEMBL7144904 0.88 ITGB2 (0.51) ITGALITGB2ICAM1HRH3MAPT
SCHEMBL7143429 0.86 ITGB2 (0.46) ITGALITGB2ICAM1FFAR1
SCHEMBL7141565 0.83 ITGB2 (0.68) ITGALITGB2ICAM1FFAR1TSHR
SCHEMBL6198410 0.78 ITGAL (0.66) ITGALITGB2ICAM1
SCHEMBL7144872 0.77 ITGB2 (0.44) ITGALITGB2ICAM1FFAR1RAB9A
SCHEMBL7146813 0.76 ITGB2 (0.51) ITGALITGB2ICAM1FFAR1APAF1
SCHEMBL7147400 0.74 ITGB2 (0.67) ITGALITGB2ICAM1FFAR1SIGMAR1
SCHEMBL6199715 0.70 ITGAL (0.57) ITGALITGB2ICAM1KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1294685-A1 ARYL PHENYCYCLOPROPYL SULFIDE DERIVATIVES AND THEIR USE AS CELL ADHESION-INHIBITING ANTI-INFLAMMATORY AND IMMUNE-SUPPRESSIVE AGENTS ABBOTT LABORATORIES (US) 2003-03-26 EP claimed
US-6521619-B2 Bind to the interaction-domain of integrin lfa-1 interrupting enothelial cell-leukocyte adhesion ICOS CORPORATION 2003-02-18 US claimed
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
WO-2002002522-A1 ARYL PHENYCYCLOPROPYL SULFIDE DERIVATIVES AND THEIR USE AS CELL ADHESION-INHIBITING ANTI-INFLAMMATORY AND IMMUNE-SUPPRESSIVE AGENTS ABBOTT LABORATORIES (US) 2002-01-10 WO 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 ITGAL 166/4885ITGB2 120/4885ICAM1 1/4885

“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.