SCHEMBL3095892

SCHEMBL3095892

COc1cc(C)c(S(=O)(=O)N2CCc3ccc(COS(C)(=O)=O)cc3C2)c(C)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 3/20 0.44
AKR1C3 P42330 2/20 0.43
LMNA P02545 1/20 0.41
PDE4B Q07343 1/20 0.40
PDE4D Q08499 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C19 P33261 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
HRH3 Q9Y5N1 1/20 0.38
OPRK1 P41145 3/20 0.38
ALDH1A1 P00352 1/20 0.38
CA7 P43166 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
RAB9A P51151 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
ESR1 P03372 1/20 0.36
ESR2 Q92731 1/20 0.36
MAPT P10636 1/20 0.36

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
SCHEMBL3091835 0.86 AKR1C3 (0.47) PKMAKR1C3LMNAPDE4BPDE4D
SCHEMBL3088744 0.83 PKM (0.44) PKMAKR1C3LMNAPDE4BPDE4D
SCHEMBL3091050 0.83 AKR1C3 (0.50) PKMAKR1C3LMNASMN1; SMN2CYP3A4
SCHEMBL3722871 0.80 PKM (0.49) PKMAKR1C3LMNAPDE4BPDE4D
SCHEMBL15062809 0.78 AKR1C3 (0.58) PKMAKR1C3LMNAPDE4BPDE4D
SCHEMBL3100375 0.78 AKR1C3 (0.64) PKMAKR1C3OPRK1
SCHEMBL3079208 0.77 AKR1C3 (0.52) PKMAKR1C3LMNASMN1; SMN2OPRK1
SCHEMBL3078096 0.72 CYP2D6 (0.47) SMN1; SMN2CYP3A4TSHR
SCHEMBL28675076 0.71 TMEM97 (0.43) LMNANPSR1HRH3ALDH1A1KMT2A
SCHEMBL20047173 0.70 PKM (0.53) PKMAKR1C3LMNAPDE4BPDE4D

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 PKM 1620/4885AKR1C3 194/4885LMNA 553/4885

“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.