SCHEMBL3100375

SCHEMBL3100375

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

nearest known ligand 0.64

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 17/20 0.64
AKR1C1 Q04828 1/20 0.48
PKM P14618 1/20 0.46
TAS2R14 Q9NYV8 1/20 0.45
OPRK1 P41145 1/20 0.45

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
SCHEMBL3088712 0.91 AKR1C3 (0.51) AKR1C3AKR1C1TAS2R14OPRK1
SCHEMBL3079208 0.90 AKR1C3 (0.52) AKR1C3PKMOPRK1
SCHEMBL15062809 0.87 AKR1C3 (0.58) AKR1C3AKR1C1PKM
SCHEMBL3281251 0.84 AKR1C3 (0.76) AKR1C3AKR1C1PKMTAS2R14
SCHEMBL3091050 0.84 AKR1C3 (0.50) AKR1C3PKMOPRK1
SCHEMBL17786043 0.84 AKR1C3 (0.61) AKR1C3AKR1C1OPRK1
SCHEMBL3722871 0.83 PKM (0.49) AKR1C3PKM
SCHEMBL3091835 0.82 AKR1C3 (0.47) AKR1C3PKMOPRK1
SCHEMBL3082495 0.81 KMT2A (0.50) AKR1C3AKR1C1
SCHEMBL3084311 0.81 POLB (0.46) AKR1C3TAS2R14OPRK1

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 AKR1C3 194/4885AKR1C1 201/4885PKM 1620/4885

“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.