SCHEMBL7718665

SCHEMBL7718665

CC(C)Oc1c(N[C@@H](Cc2ccc(-c3ccccc3)cc2)C(=O)O)c(=O)c1=O

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 7/20 0.52
ITGA4 P13612 7/20 0.52
MME P08473 10/20 0.50
ACE2 Q9BYF1 9/20 0.50
ACE P12821 8/20 0.50
CPA1 P15085 7/20 0.50
APP P05067 1/20 0.46
PPARG P37231 2/20 0.45
PPARA Q07869 2/20 0.45

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
SCHEMBL7102714 0.80 PPARG (0.53) ITGB1ITGA4APPPPARGPPARA
SCHEMBL7102711 0.80 PPARG (0.53) ITGB1ITGA4APPPPARGPPARA
SCHEMBL7258050 0.79 ITGB1 (0.43) ITGB1ITGA4
SCHEMBL7258056 0.79 ITGB1 (0.43) ITGB1ITGA4
SCHEMBL7715716 0.77 ITGB1 (0.43) ITGB1ITGA4MMEACE2ACE
SCHEMBL7259939 0.77 ITGB1 (0.47) ITGB1ITGA4
SCHEMBL7716188 0.77 ITGB1 (0.43) ITGB1ITGA4
SCHEMBL7259945 0.77 ITGB1 (0.47) ITGB1ITGA4
SCHEMBL7264612 0.77 ITGB1 (0.79) ITGB1ITGA4
SCHEMBL7714207 0.77 ITGB1 (0.42) ITGB1ITGA4

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-6455539-B2 AUTOIMMUNE DISEASE; ANTIINFLAMMATORY AGENTS; ANTIPROLIFERATORY AGENTS CELLTECH R&D LIMITED (GB) 2002-09-24 US disclosed
US-20010020017-A1 Squaric acid derivatives CELLTECH R&D LIMITED (GB) 2001-09-06 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-20010020017-A1 Squaric acid derivatives SUCNR1, HCAR1, CCR1 ITGB1 20/4885ITGA4 435/4885MME 2689/4885

“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.