SCHEMBL4829768

SCHEMBL4829768

O=C(O)C[C@H](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 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KIFC1 Q9BW19 9/20 0.51
MME P08473 1/20 0.47
CDK2 P24941 3/20 0.46
ITGB1 P05556 2/20 0.46
ITGA4 P13612 2/20 0.46
GPR34 Q9UPC5 1/20 0.44
MRGPRX4 Q96LA9 1/20 0.43
ITGB7 P26010 1/20 0.43
ECE1 P42892 2/20 0.43
MMEL1 Q495T6 1/20 0.43

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
SCHEMBL4829763 1.00 KIFC1 (0.51) KIFC1MMECDK2ITGB1ITGA4
SCHEMBL4827802 0.94 KIFC1 (0.58) KIFC1CDK2ITGB1ITGA4GPR34
SCHEMBL4827800 0.94 KIFC1 (0.58) KIFC1CDK2ITGB1ITGA4GPR34
SCHEMBL4832015 0.93 KIFC1 (0.55) KIFC1CDK2ITGB1ITGA4GPR34
SCHEMBL4832021 0.93 KIFC1 (0.55) KIFC1CDK2ITGB1ITGA4GPR34
SCHEMBL4823679 0.92 KIFC1 (0.49) KIFC1MMECDK2ITGB1ITGA4
SCHEMBL4823683 0.92 KIFC1 (0.49) KIFC1MMECDK2ITGB1ITGA4
SCHEMBL4824086 0.92 KIFC1 (0.59) KIFC1MMECDK2ITGB1ITGA4
SCHEMBL3972237 0.92 KIFC1 (0.59) KIFC1MMECDK2ITGB1ITGA4
SCHEMBL4823623 0.91 KIFC1 (0.49) KIFC1CDK2ITGB1ITGA4GPR34

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-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

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 2072/4885MME 1151/4885CDK2 456/4885

“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.