SCHEMBL2394652

SCHEMBL2394652

CC(C)(C)[S@@+]([O-])N=Cc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR3 P46089 1/20 0.44
LMNA P02545 3/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
NOX1 Q9Y5S8 1/20 0.35
MEN1 O00255 4/20 0.35
KMT2A Q03164 4/20 0.35
ALDH1A1 P00352 3/20 0.35
RAB9A P51151 2/20 0.35
HPGD P15428 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
GRIN2D O15399 2/20 0.34
GRIN3B O60391 2/20 0.34
GRIN1 Q05586 2/20 0.34
GRIN2A Q12879 2/20 0.34
GRIN2B Q13224 2/20 0.34
GRIN2C Q14957 2/20 0.34
GRIN3A Q8TCU5 2/20 0.34
TAAR1 Q96RJ0 1/20 0.34
CTH P32929 1/20 0.34
NPC1 O15118 1/20 0.33

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
SCHEMBL2394646 1.00 GPR3 (0.44) GPR3LMNAL3MBTL1NOX1MEN1
SCHEMBL2394650 1.00 GPR3 (0.44) GPR3LMNAL3MBTL1NOX1MEN1
SCHEMBL29542814 1.00 GPR3 (0.44) GPR3LMNAL3MBTL1NOX1MEN1
SCHEMBL2394643 1.00 GPR3 (0.44) GPR3LMNAL3MBTL1NOX1MEN1
SCHEMBL3125623 1.00 GPR3 (0.44) GPR3LMNAL3MBTL1NOX1MEN1
SCHEMBL29582309 1.00 GPR3 (0.44) GPR3LMNAL3MBTL1NOX1MEN1
SCHEMBL3125611 1.00 GPR3 (0.44) GPR3LMNAL3MBTL1NOX1MEN1
SCHEMBL29542724 1.00 GPR3 (0.44) GPR3LMNAL3MBTL1NOX1MEN1
SCHEMBL22159002 0.85 CALM1 (0.38) GPR3LMNAMEN1KMT2AALDH1A1
SCHEMBL22159001 0.85 CALM1 (0.38) GPR3LMNAMEN1KMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4744664-A2 PYRIMIDINEDIONE COMPOUNDS AGAINST CARDIAC CONDITIONS MyoKardia, Inc. (US) 2026-05-20 EP disclosed
US-12534453-B2 Inhibitors of glycogen synthase 1 (GYS1) and methods of use thereof MAZE THERAPEUTICS, INC. (US) 2026-01-27 US disclosed
EP-4663636-A2 TRIFLUOROMETHYL SUBSTITUTED PYRAZOLES AS HUMAN PLASMA KALLIKREIN INHIBITORS BioCryst Pharmaceuticals, Inc. (US) 2025-12-17 EP disclosed
EP-4656201-A2 RAS INHIBITORS Revolution Medicines, Inc. (US) 2025-12-03 EP disclosed
US-20250269037-A1 COMPOUNDS, COMPLEXES, AND METHODS FOR THEIR PREPARATION AND OF THEIR USE WILMINGTON TRUST, NATIONAL ASSOCIATION, AS AGENT 2025-08-28 US disclosed
US-20250270171-A1 HUMAN PLASMA KALLIKREIN INHIBITORS WILMINGTON TRUST, NATIONAL ASSOCIATION 2025-08-28 US disclosed
US-20250257040-A1 HUMAN PLASMA KALLIKREIN INHIBITORS WILMINGTON TRUST, NATIONAL ASSOCIATION 2025-08-14 US disclosed
EP-4180424-B1 SUBSTITUTED PYRAZOLES AS HUMAN PLASMA KALLIKREIN INHIBITORS BIOCRYST PHARM INC (US) 2025-06-25 EP disclosed
US-20250195521-A1 USE OF SOS1 INHIBITORS TO TREAT MALIGNANCIES WITH SHP2 MUTATIONS Revolution Medicines, Inc. 2025-06-19 US disclosed
US-20250051306-A1 RAS INHIBITORS WILMINGTON TRUST, NATIONAL ASSOCIATION, AS AGENT 2025-02-13 US disclosed
US-20140378464-A1 PYRIMIDINEDIONE COMPOUNDS MyoKardia, Inc. 2014-12-25 US disclosed
WO-2014205223-A1 PYRIMIDINEDIONE COMPOUNDS AGAINST CARDIAC CONDITIONS MyoKardia, Inc. (US) 2014-12-24 WO disclosed
EP-2610246-A1 Ethanamine compounds and methods of using the same AstraZeneca AB (SE) 2013-07-03 EP disclosed
US-20130137731-A1 ETHANAMINE COMPOUNDS AND METHODS OF USING THE SAME ASTRAZENECA AB (SE) 2013-05-30 US disclosed
US-20120277272-A1 Ethanamine Compounds and Methods of Using the Same ASTRAZENECA AB (SE) 2012-11-01 US disclosed
US-20120115913-A1 Ethanamine Compounds and Methods of Using the Same BALESTRA MICHAEL (US) 2012-05-10 US disclosed
EP-2391606-A1 ETHANAMINE COMPOUNDS AND THEIR USE FOR TREATING DEPRESSION AstraZeneca AB (SE) 2011-12-07 EP disclosed
US-8013165-B2 Ethanamine compounds and methods of using the same 545 ASTRAZENECA AB (SE) 2011-09-06 US disclosed
US-20100179199-A1 Ethanamine Compounds and Methods of Using the Same 545 ASTRAZENECA AB (SE) 2010-07-15 US disclosed
WO-2010074647-A1 ETHANAMINE COMPOUNDS AND THEIR USE FOR TREATING DEPRESSION ASTRAZENECA AB (SE) 2010-07-01 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 (11 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-20250051306-A1 RAS INHIBITORS KRAS, NRAS, HRAS GPR3 3164/4885LMNA 3803/4885L3MBTL1 3097/4885
US-20140378464-A1 PYRIMIDINEDIONE COMPOUNDS TYMS, TYMP, DPYD GPR3 4133/4885LMNA 401/4885L3MBTL1 2729/4885
US-20250195521-A1 USE OF SOS1 INHIBITORS TO TREAT MALIGNANCIES WITH SHP2 MUTATIONS SOS1, PPM1D, PTPN1 GPR3 3141/4885LMNA 4799/4885L3MBTL1 819/4885
US-20120115913-A1 Ethanamine Compounds and Methods of Using the Same PNMT, HTR5A, TPH2 GPR3 698/4885LMNA 3875/4885L3MBTL1 3828/4885
US-20250270171-A1 HUMAN PLASMA KALLIKREIN INHIBITORS KLKB1, KLK5, KLK1 GPR3 3790/4885LMNA 998/4885L3MBTL1 3542/4885
US-20120277272-A1 Ethanamine Compounds and Methods of Using the Same PNMT, TPH1, TPH2 GPR3 1835/4885LMNA 2121/4885L3MBTL1 3899/4885
US-12534453-B2 Inhibitors of glycogen synthase 1 (GYS1) and methods of use thereof GYS1, GYS2, GBA1 GPR3 2054/4885LMNA 259/4885L3MBTL1 656/4885
US-20130137731-A1 ETHANAMINE COMPOUNDS AND METHODS OF USING THE SAME TPH1, TPH2, PNMT GPR3 665/4885LMNA 3739/4885L3MBTL1 3750/4885
US-20250257040-A1 HUMAN PLASMA KALLIKREIN INHIBITORS KLKB1, KLK5, KLK1 GPR3 3790/4885LMNA 998/4885L3MBTL1 3542/4885
US-20250269037-A1 COMPOUNDS, COMPLEXES, AND METHODS FOR THEIR PREPARATION AND OF THEIR USE PAICS, ORC3, SSB GPR3 3667/4885LMNA 4036/4885L3MBTL1 4756/4885
US-20100179199-A1 Ethanamine Compounds and Methods of Using the Same 545 HTR5A, PNMT, GRIK5 GPR3 593/4885LMNA 3908/4885L3MBTL1 4026/4885

“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.