SCHEMBL1145586

SCHEMBL1145586

CC(S)c1ccc(Cl)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 1/20 0.56
TSHR P16473 2/20 0.46
MAPK1 P28482 2/20 0.46
HIF1A Q16665 2/20 0.46
TDP1 Q9NUW8 2/20 0.46
LMNA P02545 2/20 0.44
CYP2A6 P11509 1/20 0.44
TP53 P04637 1/20 0.44
HPGD P15428 1/20 0.44
BRD4 O60885 1/20 0.41
IDO1 P14902 3/20 0.41
CYP19A1 P11511 3/20 0.41
TDO2 P48775 2/20 0.41
FFAR2 O15552 1/20 0.41
SLC6A2 P23975 2/20 0.39
SLC6A3 Q01959 2/20 0.39
AOC3 Q16853 1/20 0.38
SLC6A4 P31645 1/20 0.37
AKT1 P31749 1/20 0.37
HDAC4 P56524 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
SCHEMBL19576827 1.00 ADRB2 (0.56) ADRB2TSHRMAPK1HIF1ATDP1
SCHEMBL332099 0.85 ESR1 (0.38) ADRB2LMNA
SCHEMBL9643649 0.82 TYR (0.46) ADRB2MAPK1HIF1ALMNATP53
SCHEMBL197810 0.79 ADRB2 (0.65) ADRB2TSHRMAPK1HIF1ATDP1
SCHEMBL30720007 0.77 ADRB2 (0.62) ADRB2TSHRMAPK1HIF1ATDP1
SCHEMBL153358 0.77 ADRB2 (0.62) ADRB2TSHRMAPK1HIF1ATDP1
Hydrochloric Acid SCHEMBL28767407 0.77 ADRB2 (0.62) ADRB2TSHRMAPK1HIF1ATDP1
SCHEMBL9344523 0.77 CYP19A1 (0.33) ADRB2TSHRMAPK1TDP1CYP19A1
SCHEMBL4445207 0.77 ADRB2 (0.62) ADRB2TSHRMAPK1HIF1ATDP1
SCHEMBL6074846 0.77 IDO1 (0.50) ADRB2TSHRMAPK1HIF1ATDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023164236-A1 COMPOUNDS AND METHODS USEFUL FOR STABILIZING PHENYLALANINE HYDROXYLASE MUTATIONS AGIOS PHARMACEUTICALS, INC. (US) 2023-08-31 WO disclosed
US-20230140941-A1 NON-ATP/CATALYTIC SITE P38 MITOGEN ACTIVATED PROTEIN KINASE INHIBITORS THE UNITED STATES GOVERNMENT AS REPRESENTED BY THE DEPARTMENT OF VETERANS AFFAIRS 2023-05-11 US disclosed
US-11530197-B2 Analogs for the treatment of disease INSILICO MEDICINE IP LIMITED (HK) 2022-12-20 US disclosed
US-11530199-B2 Analogs for the treatment of disease INSILICO MEDICINE IP LIMITED (HK) 2022-12-20 US disclosed
WO-2022123530-A1 BORONIC ACID COMPOUND 주식회사 엘지화학 2022-06-16 WO disclosed
EP-1964893-B2 Ink composition, inkjet recording method, printed material, and ink set FUJIFILM CORP (JP) 2021-11-24 EP disclosed
US-20210230160-A1 PHOSPHODIESTERASE INHIBITORS BOARD OF REGENTS OF THE UNIVERSITY OF NEBRASKA 2021-07-29 US disclosed
US-10961231-B2 NTCP inhibitors NATIONAL INSTITUTE OF BIOLOGICAL SCIENCES, BEIJING (CN) 2021-03-30 US disclosed
US-20210040072-A1 NTCP Inhibitors NATIONAL INSTITUTE OF BIOLOGICAL SCIENCES, BEIJING (CN) 2021-02-11 US disclosed
US-10399933-B2 Inhibitors of indoleamine-2,3-dioxygenase for the treatment of cancer BRISTOL-MYERS SQUIBB COMPANY (US) 2019-09-03 US disclosed
US-7435844-B2 Analogous compounds of strobilurines and their use as acaricides and insecticides ISAGRO RICERCA S.R.L. (IT) 2008-10-14 US disclosed
EP-1840176-A1 Ink composition, inkjet recording method, printed material, and process for producing lithographic printing plate FUJIFILM Corporation (JP) 2007-10-03 EP disclosed
EP-1795564-A1 Ink composition, inkjet recording method, production method of planographic printing plate, and planographic printing plate Fujifilm Corporation (JP) 2007-06-13 EP disclosed
US-20060235075-A1 Analogous compounds of strobilurines and their use as acaricides and insecticides ISAGRO RICERCA S.R.L. (IT) 2006-10-19 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 (12 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-20060235075-A1 Analogous compounds of strobilurines and their use as acaricides and insecticides DDT, RYR1, TPMT ADRB2 2624/4885TSHR 3510/4885MAPK1 3052/4885
US-20230140941-A1 NON-ATP/CATALYTIC SITE P38 MITOGEN ACTIVATED PROTEIN KINASE INHIBITORS MAPK1, MAPK8, MAPK4 ADRB2 3842/4885TSHR 4570/4885MAPK1 1/4885
US-20060173050-A1 Inhibitors of c-Jun N-terminal kinases MAPKAPK3, MAP3K3, MAPK3 ADRB2 3243/4885TSHR 4439/4885MAPK1 26/4885
US-20210040072-A1 NTCP Inhibitors HAVCR2, NPC1, HMGCR ADRB2 3834/4885TSHR 2808/4885MAPK1 2737/4885
US-11530199-B2 Analogs for the treatment of disease MAP4K4, MAP4K5, MAP4K2 ADRB2 2083/4885TSHR 3146/4885MAPK1 119/4885
US-20050171131-A1 Diaminopyrimidine derivatives as growth hormone secrectgogue receptor (GHS-R) antagonists GHSR, GIPR, GPR119 ADRB2 1999/4885TSHR 348/4885MAPK1 661/4885
US-20050171132-A1 Diaminopyrimidine derivatives as selective growth hormone secrectgogue receptor (GHS-R) antagonists GHSR, GIPR, GPR119 ADRB2 1930/4885TSHR 267/4885MAPK1 577/4885
US-10961231-B2 NTCP inhibitors HAVCR2, NPC1, HMGCR ADRB2 3834/4885TSHR 2808/4885MAPK1 2737/4885
US-20050070712-A1 Pyrimidine derivatives as ghrelin receptor modulators GPR119, GIPR, GCGR ADRB2 1047/4885TSHR 161/4885MAPK1 956/4885
US-11530197-B2 Analogs for the treatment of disease MAP4K4, MAP4K5, MAP4K2 ADRB2 2083/4885TSHR 3146/4885MAPK1 119/4885
US-10399933-B2 Inhibitors of indoleamine-2,3-dioxygenase for the treatment of cancer IDO1, IDO2, INMT ADRB2 1545/4885TSHR 3618/4885MAPK1 1658/4885
US-20210230160-A1 PHOSPHODIESTERASE INHIBITORS PDE4A, PDE4B, PDE4C ADRB2 1074/4885TSHR 3606/4885MAPK1 1153/4885

“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.