SCHEMBL314338

SCHEMBL314338

CS(=O)(=O)Nc1cc[c]c(Cl)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.46
ALDH1A1 P00352 4/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
KEAP1 Q14145 1/20 0.44
HPGD P15428 2/20 0.43
GAA P10253 1/20 0.43
MAPK1 P28482 1/20 0.43
POLB P06746 1/20 0.42
NR3C1 P04150 1/20 0.42
KDM4E B2RXH2 1/20 0.40
LMNA P02545 1/20 0.40
HTT P42858 1/20 0.40
CYP17A1 P05093 1/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39
NR3C2 P08235 2/20 0.39
MAPT P10636 1/20 0.39
EPHX2 P34913 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
SCHEMBL28793582 0.81 PTPN1 (0.34) ALDH1A1SMN1; SMN2
SCHEMBL197213 0.79 ALDH1A1 (0.46) KIF11ALDH1A1SMN1; SMN2KEAP1HPGD
SCHEMBL2896327 0.78 ALDH1A1 (0.45) KIF11ALDH1A1SMN1; SMN2KEAP1HPGD
SCHEMBL1098358 0.78 ALDH1A1 (0.49) ALDH1A1SMN1; SMN2KEAP1HPGDPOLB
SCHEMBL6299262 0.76 KEAP1 (0.55) ALDH1A1SMN1; SMN2KEAP1HPGDGAA
SCHEMBL16742629 0.76 BRPF1 (0.42) CYP17A1EPHX2NR1H4
SCHEMBL6502657 0.76 AURKA (0.45) ALDH1A1HPGDGAAKDM4ELMNA
SCHEMBL9555262 0.75 CA1 (0.49) KIF11ALDH1A1SMN1; SMN2KEAP1HPGD
SCHEMBL1098901 0.75 POLB (0.47) ALDH1A1SMN1; SMN2KEAP1GAAMAPK1
SCHEMBL1636891 0.74

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7687492-B2 1,2,4-Oxadiazole derivatives as dipeptidyl peptidase-IV inhibitors for the treatment or prevention of diabetes MERCK SHARP & DOHME CORP. (US) 2010-03-30 US claimed
US-20080021009-A1 1,2,4-Oxadiazole Derivatives as Dipeptidyl Peptidase-IV Inhibitors for the Treatment or Prevention of Diabetes MERCK SHARP & DOHME LLC 2008-01-24 US claimed
CN-1950349-A 1,2, 4-oxadiazole derivatives as dipeptidyl peptidase-IV inhibitors for the treatment or prevention of diabetes MERCK & CO INC (US) 2007-04-18 CN claimed
EP-1756074-A1 1,2,4-OXADIAZOLE DERIVATIVES AS DIPEPTIDYL PEPTIDASE-IV INHIBITORS FOR THE TREATMENT OR PREVENTION OF DIABETES Merck & Co., Inc. (US) 2007-02-28 EP claimed
WO-2005108382-A1 1,2,4-OXADIAZOLE DERIVATIVES AS DIPEPTIDYL PEPTIDASE-IV INHIBITORS FOR THE TREATMENT OR PREVENTION OF DIABETES MERCK & CO., INC. (US) 2005-11-17 WO claimed
EP-3071578-B1 TRICYCLIC PIPERIDINE COMPOUNDS ACTELION PHARMACEUTICALS LTD (CH) 2018-01-10 EP disclosed
US-9765092-B2 Tricyclic piperidine compounds ACTELION PHARMACEUTICALS LTD (CH) 2017-09-19 US disclosed
EP-3071578-A1 TRICYCLIC PIPERIDINE COMPOUNDS Actelion Pharmaceuticals Ltd (CH) 2016-09-28 EP disclosed
US-20160272655-A1 TRICYCLIC PIPERIDINE COMPOUNDS ACTELION PHARMACEUTICALS LTD (CH) 2016-09-22 US disclosed
WO-2015075023-A1 TRICYCLIC PIPERIDINE COMPOUNDS ACTELION PHARMACEUTICALS LTD (CH) 2015-05-28 WO disclosed
US-8093400-B2 Compounds useful in therapy PFIZER INC. (US) 2012-01-10 US disclosed
US-20100317652-A1 Compounds Useful In Therapy PFIZER INC 2010-12-16 US disclosed
US-20020099212-A1 For therapy of disease treatable based on a blood sugar level-depressing activity or a disease treatable based on a cGMP-PDE inhibiting activity, smooth muscle relaxing activity, bronchodilating activity, vasodilating activity FUJISAWA PHARMACEUTICAL CO. LTD. (JP) 2002-07-25 US disclosed
US-6348474-B1 COMPOUNDS AS ANTIDIABETIC AGENTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-02-19 US disclosed
CN-1268942-A Sulfonamide compounds and medicinal use thereof FUJISAWA PHARMACEUTICAL CO (JP) 2000-10-04 CN disclosed
EP-0995742-A1 SULFONAMIDE COMPOUNDS AND MEDICINAL USE THEREOF FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-04-26 EP disclosed
EP-0920419-A4 COMPOUNDS, COMPOSITIONS AND METHODS FOR TREATING INFLUENZA VIROPHARMA INC (US) 1999-10-06 EP disclosed
EP-0920419-A1 COMPOUNDS, COMPOSITIONS AND METHODS FOR TREATING INFLUENZA Viropharma Incorporated (US) 1999-06-09 EP disclosed
WO-1998003487-A1 COMPOUNDS, COMPOSITIONS AND METHODS FOR TREATING INFLUENZA VIROPHARMA INCORPORATED (US) 1998-01-29 WO disclosed
CN-1093359-A New herbicides RHONE POULENC AGRICULTURE (GB) 1994-10-12 CN 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 (4 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-20020099212-A1 For therapy of disease treatable based on a blood sugar level-depressing activity or a disease treatable based on a cGMP-PDE inhibiting activity, smooth muscle relaxing activity, bronchodilating activity, vasodilating activity PDE2A, PDE3A, PDE12 KIF11 3062/4885ALDH1A1 570/4885SMN1; SMN2 186/4885
US-20160272655-A1 TRICYCLIC PIPERIDINE COMPOUNDS TPH1, HTR1B, HTR1A KIF11 4333/4885ALDH1A1 405/4885SMN1; SMN2 3758/4885
US-20080021009-A1 1,2,4-Oxadiazole Derivatives as Dipeptidyl Peptidase-IV Inhibitors for the Treatment or Prevention of Diabetes DPP4, DPP3, DPP7 KIF11 4392/4885ALDH1A1 378/4885SMN1; SMN2 4014/4885
US-20100317652-A1 Compounds Useful In Therapy AVPR1A, AVPR1B, AVPR2 KIF11 1427/4885ALDH1A1 2031/4885SMN1; SMN2 4519/4885

“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.