SCHEMBL19304012

SCHEMBL19304012

O=C(NCCCCOC(O)[C@H](O)CC(O)CCO)c1cccc(-c2c3ccc(=O)cc-3oc3cc(O)ccc23)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.46
▸ USP2 O75604 2/20 0.46
▸ POLB P06746 2/20 0.46
▸ KMT2A Q03164 2/20 0.46
▸ ATM Q13315 1/20 0.46
▸ PLEC Q15149 1/20 0.46
▸ FOLH1 Q04609 2/20 0.45
▸ ALB P02768 2/20 0.44
▸ HTRA2 O43464 5/20 0.41
▸ HTRA1 Q92743 5/20 0.41
▸ ALPL P05186 1/20 0.41
▸ ALPI P09923 1/20 0.41
▸ ALPG P10696 1/20 0.41
▸ CA12 O43570 2/20 0.40
▸ CA1 P00915 2/20 0.40
▸ CA2 P00918 2/20 0.40
▸ CA9 Q16790 2/20 0.40
▸ SLC5A2 P31639 1/20 0.39
▸ CA7 P43166 1/20 0.39
▸ CA14 Q9ULX7 1/20 0.39

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
SCHEMBL14210372 0.77 GJA1 (0.51) MEN1USP2POLBKMT2AATM
SCHEMBL29974216 0.73 USP2 (0.76) MEN1USP2POLBKMT2AATM
SCHEMBL13320830 0.73 USP2 (0.76) MEN1USP2POLBKMT2AATM
SCHEMBL12123525 0.72 ALB (0.60) MEN1USP2POLBKMT2AFOLH1
SCHEMBL12675193 0.71 ALB (0.58) USP2FOLH1ALBHTRA2HTRA1
SCHEMBL12040501 0.71 ALB (0.57) USP2FOLH1ALBHTRA2HTRA1
SCHEMBL14210376 0.71 MEN1 (0.71) MEN1USP2POLBKMT2AATM
SCHEMBL16153102 0.70 USP2 (0.64) MEN1USP2POLBKMT2AATM
SCHEMBL18162918 0.70 ALB (0.64) USP2FOLH1ALBHTRA2HTRA1
SCHEMBL17307947 0.70 FOLH1 (0.58) USP2FOLH1ALBHTRA2HTRA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170247401-A1 COMPOUNDS AND METHODS FOR TREATING BACTERIAL INFECTIONS WASHINGTON UNIVERSITY 2017-08-31 — — 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-20170247401-A1 COMPOUNDS AND METHODS FOR TREATING BACTERIAL INFECTIONS MMP8, ELANE, GUSB MEN1 3869/4885USP2 1428/4885POLB 1082/4885

“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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