SCHEMBL14120203

SCHEMBL14120203

O=C(NCCCCOC1OC(CO)C(O)C(O)C1O)c1ccc(C(=O)O)c(-c2c3ccc(=O)cc-3oc3cc(O)ccc23)c1

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ SLC5A2 P31639 5/20 0.56
▸ ALB P02768 2/20 0.52
▸ GJA1 P17302 1/20 0.52
▸ GJB2 P29033 1/20 0.52
▸ FOLH1 Q04609 1/20 0.48
▸ HTRA2 O43464 4/20 0.48
▸ HTRA1 Q92743 4/20 0.48
▸ CA12 O43570 1/20 0.46
▸ CA1 P00915 1/20 0.46
▸ CA2 P00918 1/20 0.46
▸ CA9 Q16790 1/20 0.46

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 0.95 SLC5A2 (0.61) SLC5A2ALBGJA1GJB2FOLH1
SCHEMBL14210372 0.88 GJA1 (0.51) SLC5A2ALBGJA1GJB2FOLH1
SCHEMBL12675193 0.83 ALB (0.58) ALBFOLH1HTRA2HTRA1CA12
SCHEMBL12040501 0.83 ALB (0.57) ALBFOLH1HTRA2HTRA1CA12
SCHEMBL12123525 0.82 ALB (0.60) SLC5A2ALBFOLH1HTRA2HTRA1
SCHEMBL17307947 0.81 FOLH1 (0.58) ALBFOLH1HTRA2HTRA1CA12
SCHEMBL13286956 0.81 ALB (0.60) ALBFOLH1HTRA2HTRA1
SCHEMBL15298994 0.81 USP2 (0.58) SLC5A2ALBFOLH1HTRA2HTRA1
SCHEMBL24062674 0.80 ALB (0.59) ALBFOLH1HTRA2HTRA1CA9
SCHEMBL18211595 0.80 ALB (0.59) ALBFOLH1HTRA2HTRA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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 (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-20120309701-A1 COMPOUNDS AND METHODS FOR TREATING BACTERIAL INFECTIONS MMP8, ELANE, GUSB SLC5A2 835/4885ALB 787/4885GJA1 3651/4885

“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.

Send feedback