SCHEMBL13248306

SCHEMBL13248306

COC1CN(c2nc(C(=O)O)c(C(=O)O)s2)CCC1NC(=O)c1[nH]c(C)c(Cl)c1Cl

nearest known ligand 0.89

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ ABCC2 Q92887 2/20 0.82

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
SCHEMBL15121990 1.00 ABCC2 (0.82) ABCC2
SCHEMBL3111124 0.95 ABCC2 (0.80) ABCC2
SCHEMBL15121997 0.94 ABCC2 (0.81) ABCC2
SCHEMBL3114180 0.94 ABCC2 (0.81) ABCC2
SCHEMBL15121901 0.94 ABCC2 (0.79) ABCC2
SCHEMBL15122059 0.94 ABCC2 (0.79) ABCC2
SCHEMBL3237127 0.94 ABCC2 (0.74) ABCC2
SCHEMBL3237124 0.94 ABCC2 (0.74) ABCC2
SCHEMBL15121756 0.93 ABCC2 (0.83) ABCC2
SCHEMBL15121818 0.93 ABCC2 (0.80) ABCC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1853586-B1 ANTIBACTERIAL PIPERIDINE DERIVATIVES ASTRAZENECA AB (SE) 2013-07-24 — — EP disclosed
US-20130150366-A1 CHEMICAL COMPOUNDS ASTRAZENECA, INTELLECTUAL PROPERTY (GB) 2013-06-13 — — US disclosed
US-8399489-B2 Antibacterial piperdine derivatives ASTRAZENECA AB (GB) 2013-03-19 — — US disclosed
US-8399489-B2 Antibacterial piperdine derivatives ASTRAZENECA AB (GB) 2013-03-19 — — US disclosed
US-20100179150-A1 ANTIBACTERIAL PIPERDINE DERIVATIVES ASTRAZENECA AB (SE) 2010-07-15 — — US disclosed
US-20100179150-A1 ANTIBACTERIAL PIPERDINE DERIVATIVES ASTRAZENECA AB (SE) 2010-07-15 — — 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-20130150366-A1 CHEMICAL COMPOUNDS MRPL21, NISCH, CFTR ABCC2 770/4885
US-20100179150-A1 ANTIBACTERIAL PIPERDINE DERIVATIVES PIR, HAMP, AMPD2 ABCC2 702/4885

“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