Sugi Predict

Sugi Predict / Compounds / SCHEMBL933005

SCHEMBL933005

SCHEMBL933005

O=S(=O)(Oc1cccc2[nH]ccc12)C(F)(F)F

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ TRPA1 O75762 1/20 0.46
▸ RHEB Q15382 4/20 0.44
▸ MEN1 O00255 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ DRD2 P14416 1/20 0.41
▸ DRD4 P21917 1/20 0.41
▸ DRD3 P35462 1/20 0.41
▸ HTR1B P28222 3/20 0.40
▸ SLC22A6 Q4U2R8 1/20 0.40
▸ AHR P35869 1/20 0.40
▸ HTR1A P08908 3/20 0.39
▸ HTR1D P28221 2/20 0.39
▸ NR3C1 P04150 1/20 0.39
▸ MCL1 Q07820 1/20 0.38
▸ SCN9A Q15858 1/20 0.37
▸ HTR6 P50406 1/20 0.37

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
SCHEMBL30073735 1.00 TRPA1 (0.46) TRPA1RHEBMEN1MAPTMAPK1
SCHEMBL5704956 0.84 TRPA1 (0.41) TRPA1RHEBMEN1MAPTMAPK1
SCHEMBL19568054 0.82 RHEB (0.51) TRPA1RHEBMEN1MAPTMAPK1
SCHEMBL203899 0.79 MEN1 (0.42) MEN1KMT2ADRD2DRD4DRD3
SCHEMBL29706003 0.79 MEN1 (0.42) MEN1KMT2ADRD2DRD4DRD3
SCHEMBL28014836 0.79 SLC22A6 (0.64) MAPK1HTR1BSLC22A6HTR1AHTR1D
SCHEMBL31426056 0.79 PDE3B (0.36) MEN1MAPK1KMT2ADRD2DRD4
SCHEMBL30403423 0.79 RHEB (0.47) TRPA1RHEBMEN1MAPTMAPK1
SCHEMBL26965685 0.79 SLC22A6 (0.63) TRPA1RHEBMEN1MAPTMAPK1
SCHEMBL2423897 0.78 HTR1A (0.40) DRD2DRD4DRD3HTR1BSLC22A6

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111518125-B Organosilane synthesis method based on alkenyl chlorosilane coupling reaction 兰州大学 2021-10-15 — — CN disclosed
CN-111518125-A Organosilane synthesis method based on alkenyl chlorosilane coupling reaction 兰州大学 2020-08-11 — — CN disclosed
EP-2307422-A1 NOVEL SPIROCHROMANONE CARBOXYLIC ACIDS Banyu Pharmaceutical Co., Ltd. (JP) 2011-04-13 — — EP disclosed
WO-2011004132-A1 NOVEL HSP90-INHIBITING INDOLE DERIVATIVES, COMPOSITIONS CONTAINING SAID DERIVATIVES, AND USE THEREOF SANOFI-AVENTIS (FR) 2011-01-13 — — WO disclosed
US-7834183-B2 Process for producing N-(hetero)aryl-substituted nitrogen-containing heteroaryl compound FUJIFILM FINECHEMICALS CO., LTD (JP) 2010-11-16 — — US disclosed
WO-2010002010-A1 NOVEL SPIROCHROMANONE CARBOXYLIC ACIDS BANYU PHARMACEUTICAL CO.,LTD. (JP) 2010-01-07 — — WO disclosed
US-7524839-B2 Compounds, their use and preparation BIOVITRUM AM (PUBL.) 2009-04-28 — — US disclosed
CN-101298433-A 2-, 3-, 4-, or 5-substituted-n1-(benzensulfonyl)indoles and their use in therapy BIOVITRUM AB (SE) 2008-11-05 — — CN disclosed
CN-100378074-C 2-, 3-, 4-or 5-substituted N1- (phenylsulfonyl) indoles and their therapeutic use BIOVITRUM AB (SE) 2008-04-02 — — CN disclosed
US-20070135633-A1 Process for producing N-(hetero)aryl-substituted nitrogen-containing heteroaryl compound FUJIFILM FINECHEMICALS CO., LTD (JP) 2007-06-14 — — US disclosed
EP-1795529-A2 Process for producing N-(Hetero)Aryl-substituted nitrogen-containing heteroaryl compound FUJIFILM FINECHEMICALS CO., LTD. (JP) 2007-06-13 — — EP disclosed
US-7087750-B2 Compounds, their use and preparation BIOVITRUM AB (SE) 2006-08-08 — — US disclosed
CN-1714077-A 2-, 3-, 4-or 5-substituted N1- (phenylsulfonyl) indoles and their therapeutic use BIOVITRUM AB (SE) 2005-12-28 — — CN disclosed
US-20050256106-A1 Novel compounds, their use and preparation BIOVITRUM AB, A STOCKHOLM, SWEDEN CORPORATION 2005-11-17 — — US disclosed
EP-1326830-A1 2-, 3-, 4-, OR 5-SUBSTITUTED-N1-(BENZENSULFONYL)INDOLES AND THEIR USE IN THERAPY BIOVITRUM AB (SE) 2003-07-16 — — EP disclosed
US-20020165251-A1 Novel compounds, their use and preparation PROXIMAGEN NEUROSCIENCE PLC (GB) 2002-11-07 — — US disclosed
WO-2002032863-A1 2-, 3-, 4-, OR 5-SUBSTITUTED-N1-(BENZENSULFONYL)INDOLES AND THEIR USE IN THERAPY BIOVITRUM AB (SE) 2002-04-25 — — WO disclosed
US-5968985-A INHIBITORS OF SODIUM ION/HYDROGEN ION EXCHANGE IN CELLS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1999-10-19 — — US disclosed
EP-0773927-A2 BENZOYLGUANIDINE DERIVATIVES AS MEDICAMENTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-05-21 — — EP disclosed
WO-1996004241-A2 BENZOYLGUANIDINE DERIVATIVES AS MEDICAMENTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-02-15 — — 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-20020165251-A1 Novel compounds, their use and preparation HTR6, HTR1A, HTR5A TRPA1 390/4885RHEB 2133/4885MEN1 2265/4885
US-20050256106-A1 Novel compounds, their use and preparation HTR6, HTR3C, HTR1A TRPA1 302/4885RHEB 2413/4885MEN1 2008/4885
US-20070135633-A1 Process for producing N-(hetero)aryl-substituted nitrogen-containing heteroaryl compound PARG, PARN, ASNS TRPA1 2238/4885RHEB 1834/4885MEN1 1402/4885

“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.