SCHEMBL3096233

SCHEMBL3096233

Cc1cccc(Cl)c1S(=O)(=O)N1CCCc2ccc(CC(=O)O)cc21

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SLC22A12 Q96S37 2/20 0.52
CPT1A P50416 6/20 0.50
CPT1B Q92523 6/20 0.50
L3MBTL1 Q9Y468 1/20 0.46
CPT2 P23786 1/20 0.46
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
RORC P51449 4/20 0.42
NR1I2 O75469 2/20 0.42
RORA P35398 2/20 0.42
NR1H2 P55055 2/20 0.42
NR1H3 Q13133 2/20 0.42
RORB Q92753 2/20 0.42
NR1H4 Q96RI1 2/20 0.42
AKR1C3 P42330 1/20 0.41
ATM Q13315 1/20 0.40
GAA P10253 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
SCHEMBL3096475 0.89 CPT1A (0.44) SLC22A12CPT1ACPT1BL3MBTL1CPT2
SCHEMBL3083915 0.88 CPT1A (0.50) SLC22A12CPT1ACPT1BL3MBTL1CPT2
SCHEMBL3088253 0.81 CPT1A (0.55) SLC22A12CPT1ACPT1BL3MBTL1CPT2
SCHEMBL13151422 0.79 CYP2C9 (0.41) RORC
SCHEMBL3096251 0.78 ITGB3 (0.40) MEN1KMT2ARORC
SCHEMBL3089857 0.78 CPT1A (0.44) CPT1ACPT1BL3MBTL1CPT2MEN1
SCHEMBL3084305 0.76 CPT1A (0.49) SLC22A12CPT1ACPT1BCPT2MEN1
SCHEMBL3084581 0.74 CPT1A (0.51) SLC22A12CPT1ACPT1BL3MBTL1CPT2
SCHEMBL3082913 0.73 CPT1A (0.49) SLC22A12CPT1ACPT1BCPT2MEN1
SCHEMBL3096392 0.72 CPT1A (0.55) CPT1ACPT1BCPT2RORC

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-2393812-B1 SUBSTITUTED SPIROAMIDES AS B1R-MODULATORS GRUENENTHAL GMBH (DE) 2013-07-03 EP disclosed
US-8357717-B2 Spiro group-containing amide compounds having bradykinin 1 receptor (B1R) activity GRUENENTHAL GMBH (DE) 2013-01-22 US disclosed
US-8357717-B2 Spiro group-containing amide compounds having bradykinin 1 receptor (B1R) activity GRUENENTHAL GMBH (DE) 2013-01-22 US disclosed
US-8357717-B2 Spiro group-containing amide compounds having bradykinin 1 receptor (B1R) activity GRUENENTHAL GMBH (DE) 2013-01-22 US disclosed
US-20100234340-A1 Substituted Spiroamide Compounds GRUENENTHAL GMBH (DE) 2010-09-16 US disclosed
US-20100234340-A1 Substituted Spiroamide Compounds GRUENENTHAL GMBH (DE) 2010-09-16 US disclosed
US-20100234340-A1 Substituted Spiroamide Compounds GRUENENTHAL GMBH (DE) 2010-09-16 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 (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-20100234340-A1 Substituted Spiroamide Compounds BDKRB1, BDKRB2, AVPR1B SLC22A12 2644/4885CPT1A 4096/4885CPT1B 2820/4885

“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.