SCHEMBL3480809

SCHEMBL3480809

Fc1sc2ccccc2c1F

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GPR3 P46089 1/20 0.55
ALDH1A1 P00352 5/20 0.39
MAPT P10636 3/20 0.39
RAB9A P51151 2/20 0.39
HPGD P15428 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
IDO1 P14902 1/20 0.38
LOXL2 Q9Y4K0 1/20 0.38
ALOX15 P16050 1/20 0.38
KDM4E B2RXH2 3/20 0.37
LMNA P02545 1/20 0.37
CASP1 P29466 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
CYP2A6 P11509 3/20 0.35
MCL1 Q07820 1/20 0.35
IKBKB O14920 1/20 0.35
LIMK1 P53667 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL30313373 1.00 GPR3 (0.55) GPR3ALDH1A1MAPTRAB9AHPGD
SCHEMBL28118449 0.76 LOXL2 (0.53) GPR3ALDH1A1MAPTRAB9ASMN1; SMN2
SCHEMBL28383390 0.76 KDM4E (0.52) GPR3ALDH1A1MAPTRAB9AHPGD
SCHEMBL28380848 0.76 GPR3 (0.50) GPR3ALDH1A1MAPTRAB9AHPGD
SCHEMBL1121831 0.76 GPR3 (0.50) GPR3ALDH1A1MAPTRAB9AHPGD
SCHEMBL12408495 0.76 GPR3 (0.50) GPR3ALDH1A1MAPTRAB9AHPGD
SCHEMBL12778296 0.76 GPR3 (0.50) GPR3ALDH1A1MAPTRAB9AHPGD
Dibenzothiophene SCHEMBL30167635 0.72 GPR3 (1.00) GPR3ALDH1A1MAPTRAB9AHPGD
Dibenzothiophene SCHEMBL13294 0.72 GPR3 (1.00) GPR3ALDH1A1MAPTRAB9AHPGD
Dibenzothiophene SCHEMBL14659543 0.72 GPR3 (1.00) GPR3ALDH1A1MAPTRAB9AHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023134598-A1 POLYMERISABLE COMPOUND, COMPOSITION, AND LIQUID CRYSTAL DISPLAY DEVICE 烟台显华科技集团股份有限公司 2023-07-20 WO disclosed
CN-114394953-A Polymerizable compound, composition, and liquid crystal display device 烟台显华科技集团股份有限公司 2022-04-26 CN disclosed
EP-2049200-B1 NOVEL INHIBITORS OF BETA-LACTAMASE METHYLGENE INC (CA) 2015-04-29 EP disclosed
US-8440643-B2 Inhibitors of beta-lactamase METHYLGENE INC. (CA) 2013-05-14 US disclosed
US-20120245184-A1 SMALL ORGANIC MOLECULE REGULATORS OF CELL PROLIFERATION ADERANS RESEARCH INSTITUTE, INC. 2012-09-27 US disclosed
US-8273747-B2 tert-Butyl (4-((4'-cyano-4-methoxy-biphenyl-3-ylmethyl)-amino)-cyclohexyl)-methyl-carbamate; hedgehog pathway agonists; alopecia; angiogenesis; wound healing; alzheimer's disease; inhibit aging effects on skin CURIS, INC. (US) 2012-09-25 US disclosed
US-20100317625-A1 NOVEL SULFONAMIDOMETHYLPHOSPHONATE INHIBITORS OF BETA-LACTAMASE 92229129 QUEBEC INC. (CA) 2010-12-16 US disclosed
US-20100279983-A1 NOVEL INHIBITORS OF BETA-LACTAMASE METHYLGENE INC. 2010-11-04 US disclosed
EP-2049200-A2 NOVEL INHIBITORS OF BETA-LACTAMASE MethylGene Inc. (CA) 2009-04-22 EP disclosed
EP-2024376-A1 NOVEL SULFONAMIDOMETHYLPHOSPHONATE INHIBITORS OF BETA-LACTAMASE Merck & Co., Inc. (US) 2009-02-18 EP disclosed
US-20080193423-A1 Small organic molecule regulators of cell proliferation CURIS, INC. (US) 2008-08-14 US disclosed
US-20080194637-A1 Small organic molecule regulators of cell proliferation CURIS, INC. (US) 2008-08-14 US disclosed
US-20080182859-A1 tert-Butyl {4-[(4'-cyano-4-methoxy-biphenyl-3-ylmethyl)-amino]-cyclohexyl}-methyl-carbamate; hedgehog pathway agonists; to modulate proliferation or differentiation in a cell or tissue in vivo or vitro; alopecia; angiogenesis; wound healing; alzheimer's disease; to inhibit aging effects on skin CURIS, INC. (US) 2008-07-31 US disclosed
WO-2008073142-A2 NOVEL INHIBITORS OF BETA-LACTAMASE MERCK & CO., INC. (US) 2008-06-19 WO disclosed
US-20080058521-A1 Processes for the preparation of compounds WYETH (US) 2008-03-06 US disclosed
WO-2007139729-A1 NOVEL SULFONAMIDOMETHYLPHOSPHONATE INHIBITORS OF BETA-LACTAMASE MERCK & CO., INC. (US) 2007-12-06 WO 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-20100317625-A1 NOVEL SULFONAMIDOMETHYLPHOSPHONATE INHIBITORS OF BETA-LACTAMASE MGAM, BPGM, PPME1 GPR3 4825/4885ALDH1A1 2755/4885MAPT 4576/4885
US-20080193423-A1 Small organic molecule regulators of cell proliferation GLI1, SHH, SMO GPR3 702/4885ALDH1A1 1638/4885MAPT 4623/4885
US-20080058521-A1 Processes for the preparation of compounds MKI67, MCL1, DCX GPR3 4707/4885ALDH1A1 1315/4885MAPT 3924/4885
US-20120245184-A1 SMALL ORGANIC MOLECULE REGULATORS OF CELL PROLIFERATION GLI1, SHH, SMO GPR3 702/4885ALDH1A1 1638/4885MAPT 4623/4885
US-20080194637-A1 Small organic molecule regulators of cell proliferation GLI1, SHH, SMO GPR3 702/4885ALDH1A1 1638/4885MAPT 4623/4885
US-20080182859-A1 tert-Butyl {4-[(4'-cyano-4-methoxy-biphenyl-3-ylmethyl)-amino]-cyclohexyl}-methyl-carbamate; hedgehog pathway agonists; to modulate proliferation or differentiation in a cell or tissue in vivo or vitro; alopecia; angiogenesis; wound healing; alzheimer's disease; to inhibit aging effects on skin SHH, GLI1, SMO GPR3 119/4885ALDH1A1 2463/4885MAPT 398/4885
US-20100279983-A1 NOVEL INHIBITORS OF BETA-LACTAMASE MGAM, MGAM2, PGLS GPR3 4828/4885ALDH1A1 2190/4885MAPT 3993/4885

“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.