SCHEMBL556847

SCHEMBL556847

CS(=O)(=O)OCc1cccnc1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 4/20 0.46
CHRNA4 P43681 4/20 0.46
NAPRT Q6XQN6 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2D6 P10635 1/20 0.44
CHRM2 P08172 2/20 0.43
CHRM1 P11229 2/20 0.43
CHRM3 P20309 2/20 0.43
CHRNA7 P36544 2/20 0.43
TDP1 Q9NUW8 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
NAMPT P43490 1/20 0.43
PDE4A P27815 1/20 0.43
PDE4B Q07343 1/20 0.43
PDE4C Q08493 1/20 0.43
PDE4D Q08499 1/20 0.43

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
SCHEMBL10476140 0.89 TBXAS1 (0.49)
SCHEMBL27780460 0.84 CHRNB2 (0.46) CHRNB2CHRNA4NAPRTCYP1A2CYP2D6
SCHEMBL1162017 0.83 CHRNA7 (0.49) CHRNB2CHRNA4CYP1A2CYP2D6CHRNA7
SCHEMBL28923713 0.82 NAPRT (0.49) NAPRTCYP1A2CYP2D6CHRNA7TDP1
Methanesulfonic Acid Ethyl Ester SCHEMBL4022952 0.81 ALDH1A1 (0.47) CHRNB2CHRNA4NAPRTTDP1L3MBTL1
SCHEMBL7497919 0.80 TDP1 (0.54) CYP2D6CHRNA7TDP1L3MBTL1
SCHEMBL4510112 0.78 NAMPT (0.52) NAPRTTDP1NAMPTPDE4APDE4B
SCHEMBL30612269 0.78 PKM (0.49) CYP2D6NAMPT
SCHEMBL8075924 0.78 PKM (0.49) CYP2D6NAMPT
SCHEMBL507343 0.78 KMT2A (0.48) TDP1L3MBTL1NAMPT

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
JP-7291965-A None JP disclosed
JP-8012670-A None JP disclosed
EP-2419427-B1 BICYCLIC HETEROCYCLYL DERIVATIVES AS FGFR KINASE INHIBITORS FOR THERAPEUTIC USE ASTEX THERAPEUTICS LTD (GB) 2016-04-06 EP disclosed
CN-104370804-A Substituted methylamine compound preparation method NIPPON SODA CO 2015-02-25 CN disclosed
US-8481531-B2 Bicyclic heterocyclyl derivatives as FGFR kinase inhibitors for therapeutic use ASTEX THERAPEUTICS LTD (GB) 2013-07-09 US disclosed
CN-101253164-B Indole-3-carbonyl-spiro-piperidine derivatives as V1a receptor antagonists HOFFMANN LA ROCHE 2012-05-16 CN disclosed
US-20120035171-A1 BICYCLIC HETEROCYCLYL DERIVATIVES AS FGFR KINASE INHIBITORS FOR THERAPEUTIC USE ASTEX THERAPEUTICS LIMITED (GB) 2012-02-09 US disclosed
US-7776900-B2 Benzimidazole derivatives and their use for modulating the GABAAreceptor complex NEUROSEARCH A/S (DK) 2010-08-17 US disclosed
CN-101652347-A Process for producing substituted methylamine compound and triazine derivative NIPPON SODA CO JP 2010-02-17 CN disclosed
US-7629353-B2 Indol-3-yl-carbonyl-spiro-piperidine derivatives as V1a receptor antagonists HOFFMAN-LA ROCHE INC. (US) 2009-12-08 US disclosed
US-7332501-B2 Indol-3-yl-carbonyl-spiro-piperidine derivatives as V1a receptor antagonists HOFFMANN-LA ROCHE INC. (US) 2008-02-19 US disclosed
US-20070099961-A1 Method for producing bactericidal pyridine compound and bactericidal pyridine compound Kourai, Hiroki (JP) 2007-05-03 US disclosed
US-20070027173-A1 Indol-3-yl-carbonyl-spiro-piperidine derivatives as Vla receptor antagonists F. HOFFMANN-LA ROCHE AG (CH) 2007-02-01 US disclosed
WO-2007006688-A1 INDOL-3-CARBONYL-SPIRO-PIPERIDINE DERIVATIVES AS V1A RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2007-01-18 WO disclosed
EP-1683787-A1 METHOD FOR PRODUCING BACTERICIDAL PYRIDINE COMPOUND AND BACTERICIDAL PYRIDINE COMPOUND Tama Kagaku Kogyo Co., Ltd. (JP) 2006-07-26 EP disclosed
JP-H0812670-A NEW PYRROLIDINE DERIVATIVE KISSEI PHARMACEUT CO LTD 1996-01-16 JP disclosed
JP-H07291965-A NOVEL PYRROLIDINE DERIVATIVE KISSEI PHARMACEUT CO LTD 1995-11-07 JP disclosed
EP-0297621-B1 Cyclic amino-thioacetal amides, a process for the preparation thereof and pharmaceutical compositions containing them BOEHRINGER MANNHEIM ITALIA (IT) 1994-09-21 EP disclosed
US-4988701-A Cyclic amino-thioacetal amides, a process for the preparation thereof and pharmaceutical compositions BOEHRINGER BIOCHEMIA ROBIN S.P.A. (IT) 1991-01-29 US disclosed
EP-0297621-A2 Cyclic amino-thioacetal amides, a process for the preparation thereof and pharmaceutical compositions containing them BOEHRINGER MANNHEIM ITALIA S.P.A. (IT) 1989-01-04 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 (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-20070027173-A1 Indol-3-yl-carbonyl-spiro-piperidine derivatives as Vla receptor antagonists AVPR1A, AVPR2, AVPR1B CHRNB2 2130/4885CHRNA4 997/4885NAPRT 3446/4885
US-20070099961-A1 Method for producing bactericidal pyridine compound and bactericidal pyridine compound BLVRB, CBR3, TLR7 CHRNB2 4084/4885CHRNA4 4153/4885NAPRT 2474/4885
US-20120035171-A1 BICYCLIC HETEROCYCLYL DERIVATIVES AS FGFR KINASE INHIBITORS FOR THERAPEUTIC USE FGFR1, FGFR2, FGFR3 CHRNB2 4834/4885CHRNA4 4872/4885NAPRT 942/4885

“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.