SCHEMBL3079208

SCHEMBL3079208

COC(=O)c1ccc2c(c1)CN(S(=O)(=O)c1c(C)cc(OC)cc1C)CC2

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 4/20 0.52
PKM P14618 1/20 0.46
POLB P06746 1/20 0.46
OPRK1 P41145 3/20 0.44
HDAC6 Q9UBN7 1/20 0.42
RAB9A P51151 1/20 0.42
ALDH1A1 P00352 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
CYP2C9 P11712 1/20 0.41
TP53 P04637 2/20 0.41
SRD5A1 P18405 1/20 0.40
SRD5A2 P31213 1/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
USP2 O75604 1/20 0.40
LMNA P02545 1/20 0.40
ALOX15 P16050 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
TDP1 Q9NUW8 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
SCHEMBL3084311 0.91 POLB (0.46) AKR1C3POLBOPRK1RAB9AALDH1A1
SCHEMBL3100375 0.90 AKR1C3 (0.64) AKR1C3PKMOPRK1
SCHEMBL17786052 0.87 OPRK1 (0.56) AKR1C3POLBOPRK1HDAC6RAB9A
SCHEMBL15062809 0.83 AKR1C3 (0.58) AKR1C3PKMRAB9AL3MBTL1MEN1
SCHEMBL3722871 0.82 PKM (0.49) AKR1C3PKMALDH1A1L3MBTL1MEN1
SCHEMBL3088413 0.81 MEN1 (0.49) POLBL3MBTL1CYP2C9TP53MEN1
SCHEMBL3091835 0.81 AKR1C3 (0.47) AKR1C3PKMOPRK1RAB9AALDH1A1
SCHEMBL3091050 0.81 AKR1C3 (0.50) AKR1C3PKMPOLBOPRK1RAB9A
SCHEMBL3088712 0.81 AKR1C3 (0.51) AKR1C3OPRK1ALDH1A1L3MBTL1SMN1; SMN2
SCHEMBL3088262 0.77 L3MBTL1 (0.51) POLBL3MBTL1CYP2C9MEN1KMT2A

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 194/4885PKM 1620/4885POLB 3022/4885

“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.