SCHEMBL2817671

SCHEMBL2817671

O=C(O)c1ccc2c(c1)[C@H](NS(=O)(=O)c1ccccc1F)CC2

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.50
PTK2B Q14289 2/20 0.45
PSEN1 P49768 1/20 0.44
PSEN2 P49810 1/20 0.44
APH1B Q8WW43 1/20 0.44
NCSTN Q92542 1/20 0.44
APH1A Q96BI3 1/20 0.44
PSENEN Q9NZ42 1/20 0.44
ALOX5AP P20292 2/20 0.42
FEN1 P39748 2/20 0.42
TBXA2R P21731 1/20 0.42
KAT6A Q92794 3/20 0.41
HDAC8 Q9BY41 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
HSD11B1 P28845 1/20 0.40
PDE4A P27815 2/20 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
SCHEMBL2819943 0.88 KMT2A (0.45) CYP1A2PSEN1PSEN2APH1BNCSTN
SCHEMBL2819940 0.88 KMT2A (0.45) CYP1A2PSEN1PSEN2APH1BNCSTN
SCHEMBL2817998 0.86 CYP1A2 (0.50) CYP1A2TBXA2RSMN1; SMN2MEN1KMT2A
SCHEMBL784576 0.86 CYP1A2 (0.50) CYP1A2PTK2BTBXA2RHDAC8SMN1; SMN2
SCHEMBL484854 0.86 CYP1A2 (0.50) CYP1A2PTK2BTBXA2RHDAC8SMN1; SMN2
SCHEMBL2817550 0.86 ALKBH2 (0.47) CYP1A2TBXA2RMEN1KMT2ACA1
SCHEMBL785532 0.84 CYP1A2 (0.65) CYP1A2TBXA2RSMN1; SMN2MEN1KMT2A
SCHEMBL803299 0.84 CYP1A2 (0.65) CYP1A2TBXA2RSMN1; SMN2MEN1KMT2A
SCHEMBL484462 0.82 CYP1A2 (0.46) CYP1A2PTK2BTBXA2RHDAC8SMN1; SMN2
SCHEMBL484940 0.82 CYP1A2 (0.46) CYP1A2PTK2BTBXA2RHDAC8SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130231327-A1 Substituted Spiro-Amide Compounds GRUENENTHAL GMBH (DE) 2013-09-05 US disclosed
US-20130231327-A1 Substituted Spiro-Amide Compounds GRUENENTHAL GMBH (DE) 2013-09-05 US disclosed
US-20130231327-A1 Substituted Spiro-Amide Compounds GRUENENTHAL GMBH (DE) 2013-09-05 US disclosed
US-8455475-B2 Substituted spiro-amide compounds GRUENENTHAL GMBH (DE) 2013-06-04 US disclosed
US-8455475-B2 Substituted spiro-amide compounds GRUENENTHAL GMBH (DE) 2013-06-04 US disclosed
US-8455475-B2 Substituted spiro-amide compounds GRUENENTHAL GMBH (DE) 2013-06-04 US disclosed
US-20100249095-A1 Substituted Spiro-amide Compounds GRUENENTHAL GMBH (DE) 2010-09-30 US disclosed
US-20100249095-A1 Substituted Spiro-amide Compounds GRUENENTHAL GMBH (DE) 2010-09-30 US disclosed
US-20100249095-A1 Substituted Spiro-amide Compounds GRUENENTHAL GMBH (DE) 2010-09-30 US disclosed
WO-2010108651-A1 SUBSTITUTED SPIRO-AMIDE COMPOUNDS Grünenthal GmbH (DE) 2010-09-30 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 (2 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-20130231327-A1 Substituted Spiro-Amide Compounds BDKRB1, BDKRB2, REN CYP1A2 3400/4885PTK2B 1798/4885PSEN1 2963/4885
US-20100249095-A1 Substituted Spiro-amide Compounds BDKRB1, BDKRB2, REN CYP1A2 3400/4885PTK2B 1798/4885PSEN1 2963/4885

“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.