SCHEMBL14210372

SCHEMBL14210372

O=C(NCCCCOC1OC(CO)C(O)C(O)C1O)c1cccc(-c2c3ccc(=O)cc-3oc3cc(O)ccc23)c1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ GJA1 P17302 1/20 0.51
▸ GJB2 P29033 1/20 0.51
▸ SLC5A2 P31639 5/20 0.50
▸ MEN1 O00255 2/20 0.45
▸ USP2 O75604 2/20 0.45
▸ POLB P06746 2/20 0.45
▸ KMT2A Q03164 2/20 0.45
▸ ATM Q13315 1/20 0.45
▸ PLEC Q15149 1/20 0.45
▸ FOLH1 Q04609 1/20 0.42
▸ ALB P02768 2/20 0.41
▸ ALPL P05186 1/20 0.41
▸ ALPI P09923 1/20 0.41
▸ ALPG P10696 1/20 0.41
▸ CA12 O43570 1/20 0.39
▸ CA1 P00915 1/20 0.39
▸ CA2 P00918 1/20 0.39
▸ CA9 Q16790 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
SCHEMBL14119833 0.88 SLC5A2 (0.61) GJA1GJB2SLC5A2USP2FOLH1
SCHEMBL14120203 0.88 SLC5A2 (0.56) GJA1GJB2SLC5A2FOLH1ALB
SCHEMBL17340989 0.78 GJA1 (0.49) GJA1GJB2SLC5A2MEN1USP2
SCHEMBL19304012 0.77 MEN1 (0.46) SLC5A2MEN1USP2POLBKMT2A
SCHEMBL17342554 0.74 CA1 (0.63) GJA1GJB2CA12CA1CA2
SCHEMBL15314740 0.74 CA1 (0.63) GJA1GJB2CA12CA1CA2
SCHEMBL13320830 0.73 USP2 (0.76) MEN1USP2POLBKMT2AATM
SCHEMBL29974216 0.73 USP2 (0.76) MEN1USP2POLBKMT2AATM
SCHEMBL14210376 0.70 MEN1 (0.71) MEN1USP2POLBKMT2AATM
SCHEMBL12675193 0.69 ALB (0.58) USP2FOLH1ALBCA12CA1

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 9 patents. 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
US-9567362-B2 Compounds and methods for treating bacterial infections WASHINGTON UNIVERSITY (US) 2017-02-14 — — US disclosed
US-9567362-B2 Compounds and methods for treating bacterial infections WASHINGTON UNIVERSITY (US) 2017-02-14 — — US disclosed
US-20150197538-A1 COMPOUNDS AND METHODS FOR TREATING BACTERIAL INFECTIONS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2015-07-16 — — US disclosed
US-20150197538-A1 COMPOUNDS AND METHODS FOR TREATING BACTERIAL INFECTIONS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2015-07-16 — — US disclosed
US-8937167-B2 Compounds and methods for treating bacterial infections WASHINGTON UNIVERSITY (US) 2015-01-20 — — US disclosed
US-8937167-B2 Compounds and methods for treating bacterial infections WASHINGTON UNIVERSITY (US) 2015-01-20 — — US disclosed
US-20120309701-A1 COMPOUNDS AND METHODS FOR TREATING BACTERIAL INFECTIONS THE WASHINGTON UNIVERSITY (US) 2012-12-06 — — US disclosed
US-20120309701-A1 COMPOUNDS AND METHODS FOR TREATING BACTERIAL INFECTIONS THE WASHINGTON UNIVERSITY (US) 2012-12-06 — — 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 (3 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-20120309701-A1 COMPOUNDS AND METHODS FOR TREATING BACTERIAL INFECTIONS MMP8, ELANE, GUSB GJA1 3651/4885GJB2 3146/4885SLC5A2 835/4885
US-20170247401-A1 COMPOUNDS AND METHODS FOR TREATING BACTERIAL INFECTIONS MMP8, ELANE, GUSB GJA1 3651/4885GJB2 3146/4885SLC5A2 835/4885
US-20150197538-A1 COMPOUNDS AND METHODS FOR TREATING BACTERIAL INFECTIONS MMP8, ELANE, GUSB GJA1 3651/4885GJB2 3146/4885SLC5A2 835/4885

“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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