SCHEMBL3091835

SCHEMBL3091835

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

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 4/20 0.47
PKM P14618 3/20 0.46
LMNA P02545 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C19 P33261 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
RAB9A P51151 1/20 0.40
PDE4B Q07343 1/20 0.40
PDE4D Q08499 1/20 0.40
ALDH1A1 P00352 1/20 0.39
OPRK1 P41145 3/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
MAPT P10636 1/20 0.39
CA7 P43166 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL3091050 0.88 AKR1C3 (0.50) AKR1C3PKMLMNASMN1; SMN2CYP3A4
SCHEMBL3095892 0.86 PKM (0.44) AKR1C3PKMLMNASMN1; SMN2CYP3A4
SCHEMBL3088744 0.86 PKM (0.44) AKR1C3PKMLMNASMN1; SMN2CYP3A4
SCHEMBL3722871 0.83 PKM (0.49) AKR1C3PKMLMNASMN1; SMN2CYP3A4
SCHEMBL15062809 0.82 AKR1C3 (0.58) AKR1C3PKMLMNASMN1; SMN2CYP3A4
SCHEMBL3100375 0.82 AKR1C3 (0.64) AKR1C3PKMOPRK1
SCHEMBL3079208 0.81 AKR1C3 (0.52) AKR1C3PKMLMNASMN1; SMN2RAB9A
SCHEMBL3082454 0.81 MEN1 (0.50) SMN1; SMN2PDE4BPDE4DMEN1KMT2A
SCHEMBL3078096 0.76 CYP2D6 (0.47) SMN1; SMN2CYP3A4
SCHEMBL4011991 0.73 MEN1 (0.64) AKR1C3PKMLMNACYP3A4CYP2C19

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
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
EP-2393812-A1 SUBSTITUTED SPIRO-AMIDES AS B1R MODULATORS Grünenthal GmbH (DE) 2011-12-14 EP disclosed
US-20100234340-A1 Substituted Spiroamide Compounds GRUENENTHAL GMBH (DE) 2010-09-16 US disclosed
WO-2010089127-A1 SUBSTITUTED SPIRO-AMIDES AS B1R MODULATORS Grünenthal GmbH (DE) 2010-08-12 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-20100234340-A1 Substituted Spiroamide Compounds BDKRB1, BDKRB2, AVPR1B AKR1C3 194/4885PKM 1620/4885LMNA 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.