SCHEMBL2997282

SCHEMBL2997282

C=CC[C@H](C(=O)Cl)C(C)C

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 1/20 0.35
MMP2 P08253 1/20 0.35
MMP3 P08254 1/20 0.35
MMP7 P09237 1/20 0.35
GRIK1 P39086 2/20 0.31
GRIK2 Q13002 2/20 0.31
CYP2C19 P33261 1/20 0.31
CPA1 P15085 1/20 0.31
TSHR P16473 1/20 0.30
SLC1A3 P43003 1/20 0.30
SLC1A2 P43004 1/20 0.30
SLC1A1 P43005 1/20 0.30

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
SCHEMBL2997284 1.00 MMP1 (0.35) MMP1MMP2MMP3MMP7GRIK1
SCHEMBL3355253 0.81 SLC1A3 (0.32) SLC1A3SLC1A2SLC1A1
SCHEMBL3355257 0.81 SLC1A3 (0.32) SLC1A3SLC1A2SLC1A1
SCHEMBL4798136 0.79 SLC1A3 (0.45) MMP1MMP2MMP3MMP7GRIK1
SCHEMBL2987274 0.79 SLC1A3 (0.45) MMP1MMP2MMP3MMP7GRIK1
SCHEMBL2987273 0.79 SLC1A3 (0.45) MMP1MMP2MMP3MMP7GRIK1
SCHEMBL25832508 0.79 MMP2 (0.36) MMP1MMP2MMP3MMP7GRIK1
SCHEMBL4778798 0.78 TSHR (0.36) MMP1MMP2MMP3MMP7TSHR
SCHEMBL8422179 0.77 TSHR (0.39) MMP1MMP2MMP3MMP7GRIK1
SCHEMBL3355256 0.77 TSHR (0.39) MMP1MMP2MMP3MMP7GRIK1

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-20100184998-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2010-07-22 US disclosed
US-20100184998-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2010-07-22 US disclosed
US-20100184998-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2010-07-22 US disclosed
EP-2173698-A2 PROCESS FOR THE SYNTHESIS OF INTERMEDIATES OF RENIN INHIBITORS SUCH AS ALISKIREN Novartis Ag (CH) 2010-04-14 EP disclosed
WO-2008155338-A2 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2008-12-24 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-20100184998-A1 ORGANIC COMPOUNDS CYP1B1, CYP3A7, CYP2F1 MMP1 2429/4885MMP2 2502/4885MMP3 2007/4885

“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.