SCHEMBL4499006

SCHEMBL4499006

O=C(O)[C@@H]1CNC[C@H](NS(=O)(=O)c2ccc(Cl)c(Cl)c2)C1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
REN P00797 4/20 0.47
HDAC8 Q9BY41 1/20 0.45
CA12 O43570 2/20 0.44
CA2 P00918 2/20 0.44
MMP9 P14780 2/20 0.44
MMP2 P08253 1/20 0.44
TSHR P16473 1/20 0.43
ALDH1A1 P00352 1/20 0.43
MAPK1 P28482 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
TBXA2R P21731 3/20 0.41
TP53 P04637 1/20 0.40
PKM P14618 1/20 0.40
ALOX15 P16050 1/20 0.40
FLT1 P17948 1/20 0.40
FLT4 P35916 1/20 0.40
KDR P35968 1/20 0.40

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
SCHEMBL4499005 1.00 REN (0.47) RENHDAC8CA12CA2MMP9
SCHEMBL4514576 0.86 REN (0.53) RENHDAC8CA2MMP9MMP2
SCHEMBL4514580 0.86 REN (0.53) RENHDAC8CA2MMP9MMP2
SCHEMBL27494091 0.85 SMN1; SMN2 (0.49) HDAC8CA12CA2MMP9MMP2
SCHEMBL4503629 0.84 HDAC8 (0.50) RENHDAC8ALDH1A1
SCHEMBL4503627 0.84 HDAC8 (0.50) RENHDAC8ALDH1A1
SCHEMBL4502906 0.83 REN (0.45) RENHDAC8TSHRALDH1A1TP53
SCHEMBL4502902 0.83 REN (0.45) RENHDAC8TSHRALDH1A1TP53
SCHEMBL1913225 0.82 REN (0.74) RENHDAC8CA12CA2MMP9
SCHEMBL4503036 0.81 REN (0.52) RENHDAC8TSHRALDH1A1SMN1; SMN2

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 REN 1/4885HDAC8 2951/4885CA12 2883/4885

“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.