SCHEMBL4831602

SCHEMBL4831602

CCCCC(NC(=O)[C@H](Cc1ccc(-c2cccc(C(F)(F)F)c2)cc1)NC(=O)c1cc(-c2ccc(F)c(Cl)c2)ccc1O)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KIFC1 Q9BW19 12/20 0.48
MMP2 P08253 2/20 0.45
MMP3 P08254 2/20 0.45
CDK2 P24941 1/20 0.44
ITGB1 P05556 2/20 0.43
ITGA4 P13612 2/20 0.43
ITGB7 P26010 1/20 0.43
MME P08473 1/20 0.43
ACE P12821 1/20 0.43
CPA1 P15085 1/20 0.43
ACE2 Q9BYF1 1/20 0.43
ECE1 P42892 2/20 0.42

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
SCHEMBL4831606 1.00 KIFC1 (0.48) KIFC1MMP2MMP3CDK2ITGB1
SCHEMBL4823679 0.91 KIFC1 (0.49) KIFC1CDK2ITGB1ITGA4ITGB7
SCHEMBL4823683 0.91 KIFC1 (0.49) KIFC1CDK2ITGB1ITGA4ITGB7
SCHEMBL4827802 0.91 KIFC1 (0.58) KIFC1CDK2ITGB1ITGA4ITGB7
SCHEMBL4827800 0.91 KIFC1 (0.58) KIFC1CDK2ITGB1ITGA4ITGB7
SCHEMBL4832021 0.90 KIFC1 (0.55) KIFC1CDK2ITGB1ITGA4ITGB7
SCHEMBL4832015 0.90 KIFC1 (0.55) KIFC1CDK2ITGB1ITGA4ITGB7
SCHEMBL4823623 0.89 KIFC1 (0.49) KIFC1CDK2ITGB1ITGA4ITGB7
SCHEMBL4823629 0.89 KIFC1 (0.49) KIFC1CDK2ITGB1ITGA4ITGB7
SCHEMBL4829768 0.89 KIFC1 (0.51) KIFC1CDK2ITGB1ITGA4ITGB7

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 2072/4885MMP2 2214/4885MMP3 3527/4885

“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.