SCHEMBL509916

SCHEMBL509916

CCCO[C@H]1CN(c2nc(-c3nccn3CCOC)c(C(=O)O)s2)CC[C@H]1NC(=O)c1[nH]c(C)c(Cl)c1C#N

nearest known ligand 0.66

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ ABCC2 Q92887 1/20 0.52

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
SCHEMBL509751 0.96 ABCC2 (0.54) ABCC2
SCHEMBL509109 0.96 ABCC2 (0.47) ABCC2
SCHEMBL509909 0.92 ABCC2 (0.60) ABCC2
SCHEMBL3405320 0.92 ABCC2 (0.49) ABCC2
SCHEMBL509490 0.91 ABCC2 (0.49) ABCC2
SCHEMBL509316 0.91 ABCC2 (0.49) ABCC2
SCHEMBL509026 0.89 — —
SCHEMBL3400604 0.89 ABCC2 (0.61) ABCC2
SCHEMBL510095 0.89 ABCC2 (0.55) ABCC2
SCHEMBL3401004 0.88 ABCC2 (0.47) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120028979-A1 2-(PIPERIDIN-1-YL)-4-HETEROCYCLYL-THIAZOLE-5-CARBOXYLIC ACID DERIVATIVES AGAINST BACTERIAL INFECTIONS ASTRAZENECA AB (SE) 2012-02-02 — — US disclosed
US-20120028979-A1 2-(PIPERIDIN-1-YL)-4-HETEROCYCLYL-THIAZOLE-5-CARBOXYLIC ACID DERIVATIVES AGAINST BACTERIAL INFECTIONS ASTRAZENECA AB (SE) 2012-02-02 — — US disclosed
US-8071605-B2 Piperidine compounds for use in the treatment of bacterial infections ASTRAZENECA AB (SE) 2011-12-06 — — US disclosed
US-20100173909-A1 PIPERIDINE COMPOUNDS AND USES THEREOF - 596 ASTRAZENECA AB (SE) 2010-07-08 — — US disclosed
WO-2010067123-A1 2- (PIPERIDIN-1-YL) -4-HETEROCYCLYL-THIAZOLE-5-CARBOXYLIC ACID DERIVATIVES AGAINST BACTERIAL INFECTIONS ASTRAZENECA AB (SE) 2010-06-17 — — 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-20120028979-A1 2-(PIPERIDIN-1-YL)-4-HETEROCYCLYL-THIAZOLE-5-CARBOXYLIC ACID DERIVATIVES AGAINST BACTERIAL INFECTIONS TLR5, TLR2, PIR ABCC2 925/4885
US-20100173909-A1 PIPERIDINE COMPOUNDS AND USES THEREOF - 596 NISCH, PAK6, MYD88 ABCC2 1477/4885

“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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