SCHEMBL104853

SCHEMBL104853

CC(C)CCc1ccc(S(N)(=O)=O)cc1

nearest known ligand 0.63

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CA2 P00918 19/20 0.63
CA1 P00915 12/20 0.60
CA12 O43570 7/20 0.60
CA9 Q16790 6/20 0.60
CA4 P22748 6/20 0.60
CA6 P23280 4/20 0.60
CA5A P35218 4/20 0.60
CA7 P43166 4/20 0.60
CA14 Q9ULX7 4/20 0.60
CA5B Q9Y2D0 4/20 0.60
SMN1; SMN2 Q16637 1/20 0.59
MAPT P10636 1/20 0.52
GAA P10253 1/20 0.51

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
SCHEMBL9492256 0.98 CA2 (0.61) CA2CA1CA12CA9CA4
SCHEMBL10731766 0.87 CA2 (0.61) CA2CA1CA12CA9CA4
SCHEMBL10724982 0.87 CA2 (0.61) CA2CA1CA12CA9CA4
SCHEMBL10917795 0.87 CA2 (0.61) CA2CA1CA12CA9CA4
SCHEMBL18882540 0.84 CA2 (0.62) CA2CA1CA12CA9CA4
SCHEMBL17132575 0.82 RORC (0.49) CA2
SCHEMBL26765124 0.82 CA2 (0.61) CA2CA1CA12CA9CA4
SCHEMBL21657132 0.82 CA2 (0.66) CA2CA1CA12CA9CA4
SCHEMBL19176437 0.81 CA2 (0.65) CA2CA1CA12CA9CA4
SCHEMBL12614485 0.81 CA2 (0.79) CA2CA1CA12CA9CA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11254686-B1 Compounds and methods for modulating adenosine A2B receptor and adenosine A2A receptor CORVUS PHARMACEUTICALS, INC. (US) 2022-02-22 US disclosed
US-10544133-B2 Heteroaryl substituted pyridyl compounds useful as kinase modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2020-01-28 US disclosed
WO-2019046784-A1 COMPOUNDS AND METHODS FOR MODULATING ADENOSINE A2B RECEPTOR AND ADENOSINE A2A RECEPTOR CORVUS PHARMACEUTICALS, INC. (US) 2019-03-07 WO disclosed
US-10023562-B2 Heteroaryl substituted pyridyl compounds useful as kinase modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2018-07-17 US disclosed
US-20170210730-A1 HETEROARYL SUBSTITUTED PYRIDYL COMPOUNDS USEFUL AS KINASE MODULATORS BRISTOL MYERS SQUIBB CO (US) 2017-07-27 US disclosed
US-9657009-B2 Heteroaryl substituted pyridyl compounds useful as kinase modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2017-05-23 US disclosed
US-9551721-B2 Identification of small molecules recognized by antibodies in subjects with neurodegenerative diseases THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2017-01-24 US disclosed
US-9551721-B2 Identification of small molecules recognized by antibodies in subjects with neurodegenerative diseases THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2017-01-24 US disclosed
US-8835470-B2 Mandelamide heterocyclic compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2014-09-16 US disclosed
US-8791257-B2 Substituted pyrrolotriazines as protein kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2014-07-29 US disclosed
US-7598247-B2 Immunomodulating heterocyclic compounds MEDIGENE LIMITED (GB) 2009-10-06 US disclosed
US-7449447-B2 Peptidomimetic NS3-serine protease inhibitors of hepatitis C virus SCHERING CORPORATION (US) 2008-11-11 US disclosed
US-7378413-B2 2-amino-3-(alkyl)-pyrimidone derivatives SANOFI AVENTIS (FR) 2008-05-27 US disclosed
US-20080045527-A1 Immunomodulating Heterocyclic Compounds MEDIGENE LIMITED (GB) 2008-02-21 US disclosed
US-7276505-B2 Immunomodulating heterocyclic compounds MEDIGENE LIMITED (GB) 2007-10-02 US disclosed
US-20070021428-A1 Immunomodulating heterocyclic compounds AVIDEX LIMITED (GB) 2007-01-25 US disclosed
WO-2005021584-A2 NOVEL PEPTIDOMIMETIC NS3-SERINE PROTEASE INHIBITORS OF HEPATITIS C VIRUS SCHERING CORPORATION (US) 2005-03-10 WO disclosed
EP-0671660-B1 Lead-frame forming material FUJI PHOTO FILM CO LTD (JP) 2001-10-17 EP disclosed
US-5670293-A LIGHT SENSITIVE MATERIAL WITH COPPER OR NICKEL ALLOYS, DRYING A PHOTOSENSITIVE LAYER AND WINDING THE COATED WEB INTO STRIPS AND STACKING FUJI PHOTO FILM CO., LTD. (JP) 1997-09-23 US disclosed
EP-0671660-A2 Lead-frame forming material FUJI PHOTO FILM CO., LTD. (JP) 1995-09-13 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 (6 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-10544133-B2 Heteroaryl substituted pyridyl compounds useful as kinase modulators IRAK4, IRAK3, IRAK2 CA2 4624/4885CA1 4882/4885CA12 4885/4885
US-11254686-B1 Compounds and methods for modulating adenosine A2B receptor and adenosine A2A receptor ADORA2A, ADORA2B, ADORA3 CA2 1563/4885CA1 2878/4885CA12 3803/4885
US-10023562-B2 Heteroaryl substituted pyridyl compounds useful as kinase modulators IRAK4, IRAK3, IRAK2 CA2 4624/4885CA1 4882/4885CA12 4885/4885
US-20080045527-A1 Immunomodulating Heterocyclic Compounds CD40, CD40LG, NGFR CA2 2508/4885CA1 2084/4885CA12 1857/4885
US-20070021428-A1 Immunomodulating heterocyclic compounds CD40, CD40LG, NGFR CA2 2376/4885CA1 1652/4885CA12 1512/4885
US-20170210730-A1 HETEROARYL SUBSTITUTED PYRIDYL COMPOUNDS USEFUL AS KINASE MODULATORS IRAK4, IRAK3, IRAK2 CA2 4624/4885CA1 4882/4885CA12 4885/4885

“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.