SCHEMBL4824397

SCHEMBL4824397

CCCCOc1ccc(-c2ccc(F)c(Cl)c2)cc1C(=O)N[C@@H](Cc1ccc(-c2cccc(C(F)(F)F)c2)cc1)C(=O)O

nearest known ligand 0.60

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KIFC1 Q9BW19 8/20 0.60
GPR34 Q9UPC5 1/20 0.51
PPARD Q03181 7/20 0.48
PPARA Q07869 6/20 0.48
MRGPRX4 Q96LA9 1/20 0.48
ITGB1 P05556 2/20 0.47
ITGA4 P13612 2/20 0.47
PPARG P37231 4/20 0.46
ITGB7 P26010 1/20 0.46
CDK2 P24941 1/20 0.46

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
SCHEMBL4833157 1.00 KIFC1 (0.60) KIFC1GPR34PPARDPPARAMRGPRX4
SCHEMBL4831642 0.93 KIFC1 (0.51) KIFC1GPR34PPARDPPARAPPARG
SCHEMBL4831637 0.93 KIFC1 (0.51) KIFC1GPR34PPARDPPARAPPARG
SCHEMBL4827857 0.85 ECE1 (0.47) KIFC1GPR34ITGB1ITGA4ITGB7
SCHEMBL4827856 0.85 ECE1 (0.47) KIFC1GPR34ITGB1ITGA4ITGB7
SCHEMBL3972237 0.84 KIFC1 (0.59) KIFC1GPR34MRGPRX4ITGB1ITGA4
SCHEMBL4824086 0.84 KIFC1 (0.59) KIFC1GPR34MRGPRX4ITGB1ITGA4
SCHEMBL4827755 0.83 KIFC1 (0.51) KIFC1PPARDPPARAMRGPRX4ITGB1
SCHEMBL4827753 0.83 KIFC1 (0.51) KIFC1PPARDPPARAMRGPRX4ITGB1
SCHEMBL4831602 0.82 KIFC1 (0.48) KIFC1ITGB1ITGA4ITGB7CDK2

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-7459472-B2 Aryl and heteroaryl compounds, compositions, and methods of use TRANSTECH PHARMA, INC. (US) 2008-12-02 US disclosed
US-20050059713-A1 Aryl and heteroaryl compounds, compositions, and methods of use VTVX HOLDINGS I LLC 2005-03-17 US disclosed
WO-2005014534-A1 ARYL AND HETEROARYL COMPOUNDS, COMPOSITIONS, AND METHODS OF USE TRANSTECH PHARMA, INC. (US) 2005-02-17 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-20050059713-A1 Aryl and heteroaryl compounds, compositions, and methods of use CYP2F1, CYP3A43, PNPO KIFC1 2072/4885GPR34 2331/4885PPARD 2517/4885

“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.