SCHEMBL3116902

SCHEMBL3116902

Cc1[nH]c(C(=O)N[C@@H]2CCN(c3ncc(C(=O)O)s3)C[C@@H]2F)c(Cl)c1Cl

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ABCC2 Q92887 1/20 0.78

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
SCHEMBL15122089 1.00 ABCC2 (0.78) ABCC2
SCHEMBL15122099 1.00 ABCC2 (0.78) ABCC2
SCHEMBL13248205 1.00 ABCC2 (0.78) ABCC2
Diethylamine SCHEMBL3116984 0.96 ABCC2 (0.72) ABCC2
SCHEMBL15121952 0.94 ABCC2 (0.69) ABCC2
Tromethamine SCHEMBL3116552 0.94 ABCC2 (0.69) ABCC2
SCHEMBL15012427 0.93 ABCC2 (0.73) ABCC2
SCHEMBL13248188 0.93 ABCC2 (0.73) ABCC2
SCHEMBL13248314 0.93 ABCC2 (0.73) ABCC2
SCHEMBL15121869 0.93 ABCC2 (0.73) 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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1853586-B1 ANTIBACTERIAL PIPERIDINE DERIVATIVES ASTRAZENECA AB (SE) 2013-07-24 EP claimed
US-20130150366-A1 CHEMICAL COMPOUNDS ASTRAZENECA, INTELLECTUAL PROPERTY (GB) 2013-06-13 US claimed
US-20100179150-A1 ANTIBACTERIAL PIPERDINE DERIVATIVES ASTRAZENECA AB (SE) 2010-07-15 US claimed
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-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.