SCHEMBL515180

SCHEMBL515180

COc1ccccc1CSC

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.53
TAAR1 Q96RJ0 1/20 0.53
CHRM2 P08172 4/20 0.52
CHRM1 P11229 1/20 0.52
CA1 P00915 2/20 0.50
CA2 P00918 2/20 0.50
CA7 P43166 2/20 0.50
CA9 Q16790 2/20 0.50
ALDH1A1 P00352 1/20 0.50
GAA P10253 1/20 0.50
MAPT P10636 1/20 0.50
CA12 O43570 1/20 0.50
CA4 P22748 1/20 0.50
CA14 Q9ULX7 1/20 0.50
SMN1; SMN2 Q16637 2/20 0.47
SIGMAR1 Q99720 1/20 0.47
AOC3 Q16853 1/20 0.47
GRIN1 Q05586 3/20 0.46
GRIN2A Q12879 3/20 0.46
BCHE P06276 2/20 0.46

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
SCHEMBL3358176 0.84 SLC6A4 (0.43)
SCHEMBL28403191 0.84 IDO1 (0.55) IDO1TAAR1CHRM2CHRM1CA1
SCHEMBL7341529 0.84 IDO1 (0.55) IDO1TAAR1CHRM2CHRM1CA1
SCHEMBL18994627 0.82 CYP1A2 (0.51) CA1CA2ALDH1A1GAACA12
SCHEMBL24188621 0.81 IDO1 (0.52) IDO1TAAR1CHRM2CHRM1CA1
SCHEMBL515179 0.81 IDO1 (0.52) IDO1TAAR1CHRM2CHRM1CA1
SCHEMBL27455200 0.80 HTR2A (0.46) IDO1TAAR1CHRM2CHRM1CA1
SCHEMBL10870949 0.80 IDO1 (0.43) IDO1TAAR1CHRM2CHRM1CA1
SCHEMBL19122696 0.79 L3MBTL1 (0.56) ALDH1A1GAAMAPTL3MBTL1
SCHEMBL22838497 0.79 IDO1 (0.50) IDO1TAAR1CHRM2CHRM1CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023210623-A1 HALOALKYL SULFONE ANILIDE COMPOUND AND HERBICIDE CONTAINING SAME 株式会社エス・ディー・エス バイオテック 2023-11-02 WO disclosed
US-20230212204-A1 REAGENTS AND THEIR USE FOR MODULAR ENANTIODIVERGENT SYNTHESIS OF C-P BONDS THE SCRIPPS RESEARCH INSTITUTE 2023-07-06 US disclosed
US-20210188869-A1 INHIBITORS OF KRAS G12C ARAXES PHARMA LLC 2021-06-24 US disclosed
WO-2014184070-A1 MIXTURES OF HALOALKYLSULFONANILIDE DERIVATIVES AND HERBICIDES SYNGENTA LIMITED (GB) 2014-11-20 WO disclosed
WO-2014184071-A1 MIXTURES OF HALOALKYLSULFONANILIDE DERIVATIVES AND HERBICIDES SYNGENTA LIMITED (GB) 2014-11-20 WO disclosed
US-8883828-B2 2-aminopyridine analogs as glucokinase activators ARRAY BIOPHARMA INC. (US) 2014-11-11 US disclosed
US-20130065901-A1 2-AMINOPYRIDINE ANALOGS AS GLUCOKINASE ACTIVATORS ARRAY BIOPHARMA INC. (US) 2013-03-14 US disclosed
EP-2420493-A1 HALOALKYLSULFONANILIDE DERIVATIVE Nissan Chemical Industries, Ltd. (JP) 2012-02-22 EP disclosed
US-20120029187-A1 HALOALKYLSULFONANILIDE DERIVATIVE NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2012-02-02 US disclosed
EP-2336104-A1 ORTHO-SUBSTITUTED HALOALKYLSULFONANILIDE DERIVATIVE AND HERBICIDE Nissan Chemical Industries, Ltd. (JP) 2011-06-22 EP disclosed
US-7888374-B2 Inhibitors of c-jun N-terminal kinases ABBOTT LABORATORIES (US) 2011-02-15 US disclosed
US-20100069381-A1 GSK-3BETAINHIBITOR TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-03-18 US disclosed
WO-2006083673-A2 PYRIDINE DERIVATIVES USEFUL AS INHIBITORS OF C-JUN N-TERMINAL KINASES ABBOTT LABORATORIES (US) 2006-08-10 WO disclosed
US-20060173050-A1 Inhibitors of c-Jun N-terminal kinases ABBVIE INC. 2006-08-03 US disclosed
US-20050171132-A1 Diaminopyrimidine derivatives as selective growth hormone secrectgogue receptor (GHS-R) antagonists XIN ZHILI (US) 2005-08-04 US disclosed
US-20050171131-A1 Diaminopyrimidine derivatives as growth hormone secrectgogue receptor (GHS-R) antagonists KOSOGOF CHRISTI (US) 2005-08-04 US disclosed
WO-2005030734-A1 DIAMINOPYRIMIDINE DERIVATIVES AS SELECTIVE GROWTH HORMONE SECRECTGOGUE RECEPTOR (GHS-R) ANTAGONISTS ABBOTT LABORATORIES (US) 2005-04-07 WO disclosed
US-20050070712-A1 Pyrimidine derivatives as ghrelin receptor modulators ABBOTT LABORATORIES 2005-03-31 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 (9 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-20060173050-A1 Inhibitors of c-Jun N-terminal kinases MAPKAPK3, MAP3K3, MAPK3 IDO1 4247/4885TAAR1 4002/4885CHRM2 4761/4885
US-20210188869-A1 INHIBITORS OF KRAS G12C KRAS, NRAS, HRAS IDO1 4265/4885TAAR1 2999/4885CHRM2 1096/4885
US-20100069381-A1 GSK-3BETAINHIBITOR GSK3B, GSK3A, GSKIP IDO1 1290/4885TAAR1 4825/4885CHRM2 4680/4885
US-20050171131-A1 Diaminopyrimidine derivatives as growth hormone secrectgogue receptor (GHS-R) antagonists GHSR, GIPR, GPR119 IDO1 3469/4885TAAR1 343/4885CHRM2 4185/4885
US-20050171132-A1 Diaminopyrimidine derivatives as selective growth hormone secrectgogue receptor (GHS-R) antagonists GHSR, GIPR, GPR119 IDO1 3192/4885TAAR1 360/4885CHRM2 4166/4885
US-20120029187-A1 HALOALKYLSULFONANILIDE DERIVATIVE CBR3, CBR1, HDHD5 IDO1 2656/4885TAAR1 677/4885CHRM2 67/4885
US-20050070712-A1 Pyrimidine derivatives as ghrelin receptor modulators GPR119, GIPR, GCGR IDO1 2152/4885TAAR1 244/4885CHRM2 3245/4885
US-20230212204-A1 REAGENTS AND THEIR USE FOR MODULAR ENANTIODIVERGENT SYNTHESIS OF C-P BONDS PNKP, POLL, RNGTT IDO1 4069/4885TAAR1 3671/4885CHRM2 3623/4885
US-20130065901-A1 2-AMINOPYRIDINE ANALOGS AS GLUCOKINASE ACTIVATORS GCK, GCKR, GALK1 IDO1 2695/4885TAAR1 4500/4885CHRM2 2967/4885

“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.