SCHEMBL5057140

SCHEMBL5057140

N=C(N)NCCNC(=O)CCCCCNC(=O)CCNC(=O)N(S)c1ccc(-c2c3ccc(=O)cc-3oc3cc(O)ccc23)c(C(=O)O)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALB P02768 2/20 0.50
▸ USP2 O75604 2/20 0.50
▸ FOLH1 Q04609 1/20 0.50
▸ L3MBTL1 Q9Y468 1/20 0.50
▸ ESR1 P03372 1/20 0.47
▸ CA9 Q16790 10/20 0.46
▸ CA1 P00915 8/20 0.46
▸ CA2 P00918 8/20 0.46
▸ CA12 O43570 6/20 0.46
▸ AVPR2 P30518 1/20 0.45
▸ OXTR P30559 1/20 0.45
▸ AVPR1A P37288 1/20 0.45
▸ SLC5A2 P31639 1/20 0.44
▸ CA14 Q9ULX7 2/20 0.44
▸ CA7 P43166 1/20 0.44
▸ MEN1 O00255 1/20 0.43
▸ ALPL P05186 1/20 0.43
▸ POLB P06746 1/20 0.43
▸ ALPI P09923 1/20 0.43
▸ ALPG P10696 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
SCHEMBL5057133 0.85 CA9 (0.64) CA9CA1CA2CA12CA14
SCHEMBL21476997 0.76 FOLH1 (0.61) ALBUSP2FOLH1L3MBTL1ESR1
SCHEMBL22618499 0.76 USP2 (0.58) ALBUSP2FOLH1L3MBTL1ESR1
SCHEMBL20997950 0.76 USP2 (0.60) ALBUSP2FOLH1L3MBTL1ESR1
SCHEMBL20999896 0.75 CA1 (0.59) ALBCA9CA1CA2CA12
SCHEMBL18559017 0.74 CA9 (0.60) ALBUSP2L3MBTL1ESR1CA9
SCHEMBL16295184 0.74 FOLH1 (0.68) ALBUSP2FOLH1L3MBTL1ESR1
SCHEMBL24444501 0.74 CA9 (0.72) USP2L3MBTL1CA9CA1CA2
SCHEMBL3289756 0.73 FOLH1 (0.62) ALBUSP2FOLH1L3MBTL1ESR1
SCHEMBL22384710 0.73 FOLH1 (0.63) ALBUSP2FOLH1L3MBTL1ESR1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7862807-B2 Dendrimers as molecular translocators UNIVERSITY OF CALIFORNIA, SAN DIEGO (US) 2011-01-04 — — US disclosed
US-20080221020-A1 Dendrimers as Molecular Translocators THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2008-09-11 — — US disclosed
US-20060216265-A1 Dendrimers as molecular translocators THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2006-09-28 — — US disclosed
WO-2004009666-A2 DENDRIMERS AS MOLECULAR TRANSLOCATORS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2004-01-29 — — 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 (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-20060216265-A1 Dendrimers as molecular translocators SLC29A1, SLC29A2, TSPO ALB 2184/4885USP2 1968/4885FOLH1 160/4885
US-20080221020-A1 Dendrimers as Molecular Translocators SLC29A1, SLC29A2, TSPO ALB 2184/4885USP2 1968/4885FOLH1 160/4885

“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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