Sugi Predict

Sugi Predict / Compounds / SCHEMBL1120903

SCHEMBL1120903

SCHEMBL1120903

CS(=O)(=O)Nc1ccc(F)c(C(=O)CBr)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADRA2C P18825 1/20 0.51
▸ ADRA1A P35348 1/20 0.51
▸ ADRA1B P35368 1/20 0.51
▸ EPHX2 P34913 2/20 0.43
▸ ALDH1A1 P00352 2/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ HPGD P15428 2/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ CHEK1 O14757 1/20 0.40
▸ AURKA O14965 1/20 0.40
▸ DAPK3 O43293 1/20 0.40
▸ JAK2 O60674 1/20 0.40
▸ ABL1 P00519 1/20 0.40
▸ NTRK1 P04629 1/20 0.40
▸ FYN P06241 1/20 0.40
▸ CSF1R P07333 1/20 0.40
▸ RET P07949 1/20 0.40
▸ IGF1R P08069 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
SCHEMBL20551264 0.88 ADRA2C (0.48) ADRA2CADRA1AADRA1BEPHX2ALDH1A1
SCHEMBL17170051 0.87 ADRA2C (0.52) ADRA2CADRA1AADRA1BEPHX2ALDH1A1
Hydrochloric Acid SCHEMBL9209804 0.84 ADRA2C (0.57) ADRA2CADRA1AADRA1BEPHX2ALDH1A1
SCHEMBL1120797 0.82 EPHX2 (0.44) EPHX2ALDH1A1HPGDLMNAKIF11
SCHEMBL9216909 0.81 FABP4 (0.53) ADRA2CADRA1AADRA1BFABP4FABP5
SCHEMBL9209192 0.81 ALDH1A1 (0.53) ADRA2CADRA1AADRA1BEPHX2ALDH1A1
SCHEMBL9210921 0.81 ADRA2C (0.47) ADRA2CADRA1AADRA1BEPHX2ALDH1A1
SCHEMBL16536096 0.79 GAA (0.46) EPHX2HPGDKIF11KCNH2
SCHEMBL9208872 0.79 POLB (0.55) ADRA2CADRA1AADRA1BALDH1A1SMN1; SMN2
SCHEMBL9211896 0.79 NR3C1 (0.51) ADRA2CADRA1AADRA1BSMN1; SMN2HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1935882-B1 Bicyclic compounds ASAHI KASEI PHARMA CORP (JP) 2011-02-09 — — EP disclosed
US-7598284-B2 Indazole compounds as B3 adrenoceptor agonist ASAHI KASEI PHARMA CORPORATION (JP) 2009-10-06 — — US disclosed
US-7511069-B2 Indazole compounds as β3 andrenoceptor agonist ASAHI PHARMA CORPORATION (JP) 2009-03-31 — — US disclosed
EP-1447400-B1 BICYCLIC COMPOUND ASAHI KASEI PHARMA CORP (JP) 2008-09-17 — — EP disclosed
EP-1935882-A1 Bicyclic compounds Asahi Kasei Pharma Corporation (JP) 2008-06-25 — — EP disclosed
US-20080076815-A1 Indole compounds as B3 androceptor agonist ASHI KASEI PHARMA CORPORATION (JP) 2008-03-27 — — US disclosed
US-20080015242-A1 INDOLE COMPOUNDS AS BETA3 ANDROCEPTOR AGONIST ASAHI KASEI PHARMA CORPORATION (JP) 2008-01-17 — — US disclosed
US-7271190-B2 Indazole compounds as β3 adrenoceptor agonist ASAHI KASEI PHARMA CORPORATION (JP) 2007-09-18 — — US disclosed
EP-1277736-B1 NOVEL BICYCLIC COMPOUNDS ASAHI KASEI PHARMA CORP (JP) 2007-08-08 — — EP disclosed
US-7049445-B2 Bicyclic compounds ASAHI KASEI PHARMA CORPORATION (JP) 2006-05-23 — — US disclosed
US-6861444-B2 Bicyclic compounds ASAHI KASEI PHARMA CORPORATION (JP) 2005-03-01 — — US disclosed
US-20050020602-A1 Bicyclic compound ASAHI KASEI PHARMA CORPORATION (JP) 2005-01-27 — — US disclosed
EP-1447400-A1 BICYCLIC COMPOUND Asahi Kasei Pharma Corporation (JP) 2004-08-18 — — EP disclosed
US-20040127546-A1 for treating or preventing diabetes, obesity, hyperlipidemia, digestive diseases, depression or urinary disturbances; beta 3-agonist ASAHI KASEI PHARMA CORPORATION (JP) 2004-07-01 — — US disclosed
US-20030191174-A1 Eating disorders; antidiabetic agents; gastrointestinal disorders ASAHI KASEI PHARMA CORPORATION (JP) 2003-10-09 — — US disclosed
EP-1277736-A1 NOVEL BICYCLIC COMPOUNDS Asahi Kasei Kabushiki Kaisha (JP) 2003-01-22 — — EP disclosed
EP-0538469-B1 SULFONANILIDE DERIVATIVE AND MEDICINE NIPPON SHINYAKU CO LTD (JP) 1995-09-27 — — EP disclosed
US-5360822-A FOR TREATING URINARY INCONTINENCE IN ANIMALS AND HUMANS NIPPON SHINYAKU CO. LTD. (JP) 1994-11-01 — — US disclosed
EP-0538469-A1 SULFONANILIDE DERIVATIVE AND MEDICINE NIPPON SHINYAKU COMPANY, LIMITED (JP) 1993-04-28 — — EP 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 (5 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-20040127546-A1 for treating or preventing diabetes, obesity, hyperlipidemia, digestive diseases, depression or urinary disturbances; beta 3-agonist GPR119, ADRB3, DBH ADRA2C 41/4885ADRA1A 44/4885ADRA1B 57/4885
US-20030191174-A1 Eating disorders; antidiabetic agents; gastrointestinal disorders GPR119, GIPR, SLC5A2 ADRA2C 1117/4885ADRA1A 1421/4885ADRA1B 1903/4885
US-20050020602-A1 Bicyclic compound GOT1, H1-0, HSD11B1 ADRA2C 1789/4885ADRA1A 787/4885ADRA1B 924/4885
US-20080076815-A1 Indole compounds as B3 androceptor agonist OPRL1, NPBWR1, NPY4R ADRA2C 51/4885ADRA1A 117/4885ADRA1B 42/4885
US-20080015242-A1 INDOLE COMPOUNDS AS BETA3 ANDROCEPTOR AGONIST ADRB3, ADRB2, OPRD1 ADRA2C 19/4885ADRA1A 33/4885ADRA1B 28/4885

“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.