SCHEMBL2591258

SCHEMBL2591258

Cc1cn(S(=O)(=O)N(C)C)cn1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.49
MAPT P10636 1/20 0.46
HTT P42858 1/20 0.46
LMNA P02545 2/20 0.44
KMT2A Q03164 1/20 0.44
ALDH1A1 P00352 4/20 0.42
TP53 P04637 1/20 0.42
MAPK10 P53779 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
KDM4E B2RXH2 2/20 0.41
PKM P14618 2/20 0.40
TSHR P16473 1/20 0.38
SMN1; SMN2 Q16637 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
SCHEMBL633115 0.79 HTT (0.42) GAAMAPTHTTKDM4ETSHR
SCHEMBL4045244 0.78 HTT (0.44) GAAHTTLMNAMAPK10NPSR1
SCHEMBL2383891 0.78 HTT (0.44) GAAHTTKDM4ETSHRSMN1; SMN2
SCHEMBL6755229 0.78 HTT (0.44) GAAHTTKMT2ANPSR1KDM4E
SCHEMBL25836668 0.76 HTT (0.42) GAAMAPTHTTLMNAKMT2A
SCHEMBL13208612 0.76 HTT (0.42) GAAMAPTHTTKMT2AKDM4E
SCHEMBL16523107 0.74 HTT (0.41) GAAHTTKDM4ETSHRSMN1; SMN2
SCHEMBL9951819 0.74 HTT (0.41) GAAHTTKDM4ETSHRSMN1; SMN2
SCHEMBL7100600 0.74 HTT (0.41) GAAHTTKMT2AALDH1A1NPSR1
SCHEMBL9125151 0.74 HTT (0.41) GAAMAPTHTTLMNAKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040006093-A1 Compounds which inhibit leukocyte adhesion mediated by VLA-4 BIOGEN IDEC INTERNATIONAL HOLDING LTD. (BM) 2004-01-08 US claimed
US-6583139-B1 Treatment of inflammatory diseases; inflammatory brain diseases such as multiple sclerosis; N-(Toluene-4-sulfonyl)-L-prolyl-4-(alpha -methylbenzyloxy)-L-phenylalanine; Very Late Antigen 4 BIOGEN IDEC INTERNATIONAL HOLDING LTD. (BM) 2003-06-24 US claimed
EP-0994896-A1 SULFONYLATED DIPEPTIDE COMPOUNDS WHICH INHIBIT LEUKOCYTE ADHESION MEDIATED BY VLA-4 Elan Pharmaceuticals, Inc. (US) 2000-04-26 EP claimed
WO-1999006437-A1 SULFONYLATED DIPEPTIDE COMPOUNDS WHICH INHIBIT LEUKOCYTE ADHESION MEDIATED BY VLA-4 ELAN PHARMACEUTICALS INC. (US) 1999-02-11 WO claimed
US-20220135544-A1 PYRAZOLYL QUINOXALINE KINASE INHIBITORS ASTEX THERAPEUTICS LTD (GB) 2022-05-05 US disclosed
US-20200131153-A1 PYRAZOLYL QUINOXALINE KINASE INHIBITORS ASTEX THERAPEUTICS LTD (GB) 2020-04-30 US disclosed
EP-3178818-B1 PYRAZOLYL QUINOXALINE KINASE INHIBITORS ASTEX THERAPEUTICS LTD (GB) 2019-05-22 EP disclosed
US-20180127397-A1 PYRAZOLYL QUINOXALINE KINASE INHIBITORS ASTEX THERAPEUTICS LTD (GB) 2018-05-10 US disclosed
US-20180094016-A1 Triazole Compounds And Methods Of Making And Using The Same BioVersys AG (CH) 2018-04-05 US disclosed
US-20180094016-A1 Triazole Compounds And Methods Of Making And Using The Same BioVersys AG (CH) 2018-04-05 US disclosed
US-9850228-B2 Pyrazolyl quinoxaline kinase inhibitors ASTEX THERAPEUTICS LTD (GB) 2017-12-26 US disclosed
EP-3178818-A1 PYRAZOLYL QUINOXALINE KINASE INHIBITORS Astex Therapeutics Limited (GB) 2017-06-14 EP disclosed
US-6841684-B2 For therapy of chronic pain, glaucoma or elevated intraocular pressure and other diseases with substantially reduced cardiovascular or sedative side effects ALLERGAN, INC. (US) 2005-01-11 US disclosed
EP-1036065-B1 SUBSTITUTED IMIDAZOLE DERIVATIVES HAVING AGONIST-LIKE ACTIVITY AT ALPHA 2B OR 2B/2C ADRENERGIC RECEPTORS ALLERGAN INC (US) 2004-05-12 EP disclosed
EP-1413576-A2 Substituted imidazole derivatives having agonist-like activity at alpha 2B or 2B/2C adrenergic receptors Allergan, Inc. (US) 2004-04-28 EP disclosed
US-20040006093-A1 Compounds which inhibit leukocyte adhesion mediated by VLA-4 BIOGEN IDEC INTERNATIONAL HOLDING LTD. (BM) 2004-01-08 US disclosed
US-6583139-B1 Treatment of inflammatory diseases; inflammatory brain diseases such as multiple sclerosis; N-(Toluene-4-sulfonyl)-L-prolyl-4-(alpha -methylbenzyloxy)-L-phenylalanine; Very Late Antigen 4 BIOGEN IDEC INTERNATIONAL HOLDING LTD. (BM) 2003-06-24 US disclosed
US-20030023098-A1 Compounds and method of treatment having agonist-like activity selective at alpha 2B or 2B/2C adrenergic receptors ALLERGAN SALES, INC. 2003-01-30 US disclosed
US-20020156076-A1 Compounds and method of treatment having agonist-like activity selective at alpha 2B or 2B / 2C adrenergic receptors ALLERGAN SALES, INC. 2002-10-24 US disclosed
US-6329369-B1 ANALGESICS FOR TREATING GLAUCOMA OR ELEVATED PRESSURE AND OTHER DISEASES WITH REDUCED SIDE EFFECTS BY TREATING A MAMMAL IN NEED THEREOF AN AGONIST OF ALPHA 2B OR ALPHA 2B/2C ADRENERGIC RECEPTOR ALLERGAN SALES, INC. 2001-12-11 US 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 (7 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-20200131153-A1 PYRAZOLYL QUINOXALINE KINASE INHIBITORS PDXK, DCK, PDPK1 GAA 930/4885MAPT 1957/4885HTT 1783/4885
US-20030023098-A1 Compounds and method of treatment having agonist-like activity selective at alpha 2B or 2B/2C adrenergic receptors ADRA2B, ADRB2, ADRA2C GAA 1908/4885MAPT 2787/4885HTT 2819/4885
US-20180094016-A1 Triazole Compounds And Methods Of Making And Using The Same IL33, PROKR1, VIP GAA 719/4885MAPT 3970/4885HTT 1684/4885
US-20020156076-A1 Compounds and method of treatment having agonist-like activity selective at alpha 2B or 2B / 2C adrenergic receptors ADRB2, ADRB1, ADRA2B GAA 4004/4885MAPT 4607/4885HTT 4492/4885
US-20180127397-A1 PYRAZOLYL QUINOXALINE KINASE INHIBITORS PDXK, DCK, PDPK1 GAA 930/4885MAPT 1957/4885HTT 1783/4885
US-20040006093-A1 Compounds which inhibit leukocyte adhesion mediated by VLA-4 VCAM1, ICAM1, CD4 GAA 1632/4885MAPT 816/4885HTT 3592/4885
US-20220135544-A1 PYRAZOLYL QUINOXALINE KINASE INHIBITORS PDXK, DCK, PDPK1 GAA 930/4885MAPT 1957/4885HTT 1783/4885

“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.