Sugi Predict

Sugi Predict / Compounds / SCHEMBL484854

SCHEMBL484854

SCHEMBL484854

O=C(O)c1ccc2c(c1)C(NS(=O)(=O)c1ccccc1Cl)CC2

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 1/20 0.50
▸ ALDH1A1 P00352 2/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.46
▸ TBXA2R P21731 1/20 0.42
▸ TAS1R3 Q7RTX0 2/20 0.42
▸ TAS1R1 Q7RTX1 2/20 0.42
▸ HTT P42858 2/20 0.42
▸ HDAC8 Q9BY41 1/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ PTK2B Q14289 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ CA1 P00915 1/20 0.40
▸ CA2 P00918 1/20 0.40
▸ TSHR P16473 2/20 0.40
▸ TDP1 Q9NUW8 2/20 0.40
▸ PSMD14 O00487 1/20 0.40
▸ USP2 O75604 1/20 0.40
▸ PLA2G1B P04054 1/20 0.40
▸ ALPL P05186 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
SCHEMBL784576 1.00 CYP1A2 (0.50) CYP1A2ALDH1A1L3MBTL1TBXA2RTAS1R3
SCHEMBL2822028 0.93 CYP1A2 (0.59) CYP1A2ALDH1A1L3MBTL1TBXA2RTAS1R3
SCHEMBL484940 0.91 CYP1A2 (0.46) CYP1A2ALDH1A1L3MBTL1TBXA2RTAS1R3
SCHEMBL484462 0.91 CYP1A2 (0.46) CYP1A2ALDH1A1L3MBTL1TBXA2RTAS1R3
SCHEMBL784591 0.91 CYP1A2 (0.50) CYP1A2ALDH1A1L3MBTL1TAS1R3TAS1R1
SCHEMBL786013 0.91 CYP1A2 (0.50) CYP1A2ALDH1A1L3MBTL1TAS1R3TAS1R1
SCHEMBL803565 0.88 TAS1R3 (0.44) CYP1A2ALDH1A1L3MBTL1TAS1R3TAS1R1
SCHEMBL2820965 0.88 TAS1R3 (0.44) CYP1A2ALDH1A1L3MBTL1TAS1R3TAS1R1
SCHEMBL2822023 0.88 MAPK1 (0.52) CYP1A2L3MBTL1HTTHDAC8KMT2A
SCHEMBL2818105 0.87 CYP1A2 (0.48) CYP1A2ALDH1A1TBXA2RTAS1R3TAS1R1

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
US-8680159-B2 Bradykinin 1 receptor modulating compounds GRUENENTHAL GMBH (DE) 2014-03-25 — — 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-20120071461-A1 Substituted Benzamide Compounds GRUENENTHAL GMBH (DE) 2012-03-22 — — US disclosed
EP-2411381-A1 SUBSTITUTED SPIRO-AMIDE COMPOUNDS Grünenthal GmbH (DE) 2012-02-01 — — EP 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 (3 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 3400/4885ALDH1A1 2086/4885L3MBTL1 3172/4885
US-20100249095-A1 Substituted Spiro-amide Compounds BDKRB1, BDKRB2, REN CYP1A2 3400/4885ALDH1A1 2086/4885L3MBTL1 3172/4885
US-20120071461-A1 Substituted Benzamide Compounds BDKRB1, BDKRB2, HRH2 CYP1A2 1988/4885ALDH1A1 1267/4885L3MBTL1 1325/4885

“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.