SCHEMBL20999856

SCHEMBL20999856

N=C(N)NCCCCNC(=O)NC[C@H](NC=O)C(=O)O

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ EPHX1 P07099 6/20 0.36
▸ ALOX15 P16050 1/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ PRMT1 Q99873 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ EPHX2 P34913 5/20 0.33
▸ FOLH1 Q04609 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
SCHEMBL20999352 0.99 EPHX1 (0.38) EPHX1ALOX15SMN1; SMN2PRMT1MEN1
SCHEMBL20999364 0.99 EPHX1 (0.38) EPHX1ALOX15SMN1; SMN2PRMT1MEN1
SCHEMBL6150091 0.84 FOLH1 (0.38) ALOX15SMN1; SMN2MEN1CYP1A2KMT2A
SCHEMBL17553002 0.82 DDAH1 (0.37) ALOX15SMN1; SMN2MEN1CYP1A2KMT2A
SCHEMBL27494369 0.82 DDAH1 (0.37) ALOX15SMN1; SMN2MEN1CYP1A2KMT2A
SCHEMBL12210960 0.74 NPY4R (0.39) ALOX15SMN1; SMN2MEN1CYP1A2KMT2A
SCHEMBL24135883 0.71 C3AR1 (0.41) SMN1; SMN2FOLH1
SCHEMBL27968072 0.71 C3AR1 (0.34) ALOX15SMN1; SMN2MEN1CYP1A2KMT2A
SCHEMBL10929177 0.71 NPY4R (0.38) ALOX15SMN1; SMN2MEN1CYP1A2KMT2A
SCHEMBL14203126 0.70 TGFBR1 (0.32) —

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-10836720-B2 Inhibitors of integrin alpha 5 beta 1 and methods of use THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2020-11-17 — — US disclosed
US-20190144386-A1 INHIBITORS OF INTEGRIN ALPHA 5 BETA 1 AND METHODS OF USE THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2019-05-16 — — 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 (2 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-20190144386-A1 INHIBITORS OF INTEGRIN ALPHA 5 BETA 1 AND METHODS OF USE ITGA5, ITGB5, ITGB1 EPHX1 880/4885ALOX15 2312/4885SMN1; SMN2 3508/4885
US-10836720-B2 Inhibitors of integrin alpha 5 beta 1 and methods of use ITGA5, ITGB5, ITGB1 EPHX1 880/4885ALOX15 2312/4885SMN1; SMN2 3508/4885

“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.

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