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Sugi Predict / Compounds / SCHEMBL2817550

SCHEMBL2817550

SCHEMBL2817550

O=C(O)c1ccc2c(c1)[C@H](NS(=O)(=O)c1ccccc1C(F)(F)F)CC2

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ALKBH2 Q6NS38 1/20 0.47
▸ ALKBH3 Q96Q83 1/20 0.47
▸ FTO Q9C0B1 1/20 0.47
▸ CYP1A2 P05177 1/20 0.47
▸ SFRP1 Q8N474 8/20 0.44
▸ MEN1 O00255 2/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ ALDH1A1 P00352 1/20 0.44
▸ TBXA2R P21731 1/20 0.42
▸ POLB P06746 2/20 0.40
▸ USP2 O75604 1/20 0.40
▸ NR1H2 P55055 1/20 0.39
▸ CNR2 P34972 2/20 0.39
▸ WDR5 P61964 1/20 0.39
▸ CA1 P00915 1/20 0.38
▸ CA2 P00918 1/20 0.38
▸ RXFP1 Q9HBX9 1/20 0.38

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
SCHEMBL2815784 0.89 RBP4 (0.46) CYP1A2MEN1KMT2AALDH1A1POLB
SCHEMBL2815786 0.89 RBP4 (0.46) CYP1A2MEN1KMT2AALDH1A1POLB
SCHEMBL2817671 0.86 CYP1A2 (0.50) CYP1A2MEN1KMT2AALDH1A1TBXA2R
SCHEMBL2820454 0.84 PDE4A (0.50) CYP1A2MEN1KMT2ACNR2
SCHEMBL2817827 0.84 CYP1A2 (0.42) CYP1A2SFRP1TBXA2RPOLBUSP2
SCHEMBL484854 0.84 CYP1A2 (0.50) CYP1A2MEN1KMT2AALDH1A1TBXA2R
SCHEMBL2817998 0.84 CYP1A2 (0.50) ALKBH2ALKBH3CYP1A2MEN1KMT2A
SCHEMBL784576 0.84 CYP1A2 (0.50) CYP1A2MEN1KMT2AALDH1A1TBXA2R
SCHEMBL803299 0.82 CYP1A2 (0.65) CYP1A2MEN1KMT2AALDH1A1TBXA2R
SCHEMBL785532 0.82 CYP1A2 (0.65) CYP1A2MEN1KMT2AALDH1A1TBXA2R

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 ALKBH2 4861/4885ALKBH3 4773/4885FTO 4625/4885
US-20100249095-A1 Substituted Spiro-amide Compounds BDKRB1, BDKRB2, REN ALKBH2 4861/4885ALKBH3 4773/4885FTO 4625/4885

“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.