SCHEMBL7035239

SCHEMBL7035239

N=C(N)NCCOc1ccc(C(=O)NC[C@H](NC(=O)Nc2ccccc2Br)C(=O)O)c(O)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F10 P00742 3/20 0.38
ANPEP P15144 1/20 0.37
MEN1 O00255 1/20 0.37
POLB P06746 1/20 0.37
KMT2A Q03164 1/20 0.37
ITGB3 P05106 5/20 0.36
ITGAV P06756 2/20 0.36
FOLH1 Q04609 2/20 0.36
ADRB2 P07550 1/20 0.36
ADRB1 P08588 1/20 0.36
F2 P00734 1/20 0.35
PLAU P00749 1/20 0.35
PLAT P00750 1/20 0.35
CXCR1 P25024 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
CA9 Q16790 1/20 0.35
ITGA2B P08514 3/20 0.34
ITGB1 P05556 1/20 0.34

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
SCHEMBL7030499 0.90 F10 (0.38) F10MEN1POLBKMT2AITGB3
SCHEMBL7038269 0.90 PYGL (0.41) F10ANPEPMEN1POLBKMT2A
SCHEMBL7032586 0.90 PYGL (0.41) F10ANPEPMEN1POLBKMT2A
SCHEMBL7036653 0.89 MEN1 (0.46) F10ANPEPMEN1POLBKMT2A
SCHEMBL7036018 0.89 F10 (0.42) F10MEN1POLBKMT2AITGB3
SCHEMBL7034753 0.89 ALDH1A1 (0.43) ANPEPMEN1POLBKMT2AFOLH1
SCHEMBL7035292 0.88 MEN1 (0.41) F10MEN1POLBKMT2AITGB3
SCHEMBL7034173 0.86 ITGB1 (0.39) ANPEPMEN1POLBKMT2AITGB3
SCHEMBL7039300 0.85 F10 (0.46) F10MEN1POLBKMT2AITGB3
SCHEMBL7039028 0.85 ITGB3 (0.41) F10MEN1POLBKMT2AITGB3

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-20030186967-A1 Acylresorcinol derivatives are selective vitronectin receptor inhibitors AMERICAN HOME PRODUCTS CORPORATION (US) 2003-10-02 US claimed
US-20030186967-A1 Acylresorcinol derivatives are selective vitronectin receptor inhibitors AMERICAN HOME PRODUCTS CORPORATION (US) 2003-10-02 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-20030186967-A1 Acylresorcinol derivatives are selective vitronectin receptor inhibitors ASGR1, TEK, APLNR F10 2695/4885ANPEP 1093/4885MEN1 1162/4885

“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.