SCHEMBL7105626

SCHEMBL7105626

CC(C)Oc1c(N[C@@](C)(Cc2ccc(C#Cc3c(Cl)cccc3Cl)cc2)C(=O)O)c(=O)c1=O

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ACACB O00763 16/20 0.35
FFAR1 O14842 2/20 0.32
CASR P41180 1/20 0.32
PPARG P37231 1/20 0.31
PPARD Q03181 1/20 0.31
PPARA Q07869 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
SCHEMBL7259102 0.81 ITGB1 (0.42) ACACBFFAR1CASRPPARGPPARD
SCHEMBL7105624 0.77 ITGB1 (0.40) ACACB
SCHEMBL7105616 0.77 ITGB1 (0.40) ACACB
SCHEMBL7105618 0.74 ACACB (0.35) ACACBFFAR1
SCHEMBL7716183 0.69 MAPT (0.37)
SCHEMBL7716187 0.66 MAPT (0.35)
SCHEMBL7716184 0.66 MAPT (0.35)
SCHEMBL7710685 0.66 ALDH1A1 (0.34) ACACBPPARG
SCHEMBL7101246 0.66 ACE (0.53) PPARGPPARDPPARA
SCHEMBL7101248 0.66 ACE (0.53) PPARGPPARDPPARA

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-20030162799-A1 Carbocyclic oxo, carboxy amines such as 3-(4-(3,5-Dichloro-4-pyridylcarboxamido)phenyl)-2-(2-propylamino-3,4 -dioxocyclobut-1-enyl)amino)propanoic acid, used as integrin antagonists; antiinflammatory agents CELLTECH R&D LIMITED (GB) 2003-08-28 US disclosed
US-6518283-B1 To modify integrin function in such a way as to beneficially modulate cell adhesion CELLTECH R&D LIMITED (GB) 2003-02-11 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-20030162799-A1 Carbocyclic oxo, carboxy amines such as 3-(4-(3,5-Dichloro-4-pyridylcarboxamido)phenyl)-2-(2-propylamino-3,4 -dioxocyclobut-1-enyl)amino)propanoic acid, used as integrin antagonists; antiinflammatory agents ICAM1, VCAM1, CCR1 ACACB 1447/4885FFAR1 66/4885CASR 1805/4885

“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.