SCHEMBL4499198

SCHEMBL4499198

O=C(O)[C@@H]1CNC[C@H](NS(=O)(=O)c2ccc(Oc3ccccc3)cc2)C1

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 12/20 0.58
MMP9 P14780 10/20 0.58
MMP1 P03956 7/20 0.58
MMP3 P08254 6/20 0.58
MMP7 P09237 3/20 0.58
REN P00797 3/20 0.54
MMP13 P45452 7/20 0.50
MMP14 P50281 6/20 0.49
ALDH1A1 P00352 2/20 0.48
LMNA P02545 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
TSHR P16473 1/20 0.45
ADAMTS4 O75173 1/20 0.44
MEP1B Q16820 1/20 0.44
ADAMTS5 Q9UNA0 1/20 0.44
BCL2L1 Q07817 1/20 0.43
MCL1 Q07820 1/20 0.43

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
SCHEMBL4499196 1.00 MMP2 (0.58) MMP2MMP9MMP1MMP3MMP7
SCHEMBL4508093 0.88 REN (0.59) MMP2MMP9MMP1MMP3MMP7
SCHEMBL4508089 0.88 REN (0.59) MMP2MMP9MMP1MMP3MMP7
SCHEMBL4504406 0.86 REN (0.53) MMP2MMP9MMP1MMP3MMP7
SCHEMBL4504408 0.86 REN (0.53) MMP2MMP9MMP1MMP3MMP7
SCHEMBL4502144 0.86 REN (0.57) MMP2MMP9MMP1MMP3REN
SCHEMBL4502147 0.86 REN (0.57) MMP2MMP9MMP1MMP3REN
SCHEMBL1913227 0.84 REN (0.78) MMP2MMP9MMP1MMP3MMP7
SCHEMBL4504389 0.83 DPP4 (0.48) RENALDH1A1TSHR
SCHEMBL4504392 0.83 DPP4 (0.48) RENALDH1A1TSHR

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
US-20090233920-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2009-09-17 US claimed
EP-1907359-A2 3,5-SUBSTITUTED PIPERIDINE DERIVATIVES EFFECTIVE ON RENIN-RELATED DISORDERS Novartis AG (CH) 2008-04-09 EP claimed
WO-2007006534-A2 PIPERIDINE DERIVATIVES USEFUL IN THE DIAGNOSTIC AND THERAPEUTIC TREATMENT OF DISEASES DEPENDING ON RENIN ACTIVITY NOVARTIS AG (CH) 2007-01-18 WO claimed
US-20090233920-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2009-09-17 US disclosed
EP-1907359-A2 3,5-SUBSTITUTED PIPERIDINE DERIVATIVES EFFECTIVE ON RENIN-RELATED DISORDERS Novartis AG (CH) 2008-04-09 EP disclosed
WO-2007006534-A2 PIPERIDINE DERIVATIVES USEFUL IN THE DIAGNOSTIC AND THERAPEUTIC TREATMENT OF DISEASES DEPENDING ON RENIN ACTIVITY NOVARTIS AG (CH) 2007-01-18 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 (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-20090233920-A1 ORGANIC COMPOUNDS REN, ACE, AGTR1 MMP2 310/4885MMP9 693/4885MMP1 103/4885

“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.