SCHEMBL4872149

SCHEMBL4872149

CC(=S)NCc1cccc(F)c1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTPN7 P35236 2/20 0.53
DUSP3 P51452 2/20 0.53
SRC P12931 1/20 0.49
LMNA P02545 2/20 0.49
ALDH1A1 P00352 1/20 0.49
MAPT P10636 1/20 0.49
PKM P14618 1/20 0.49
ALOX12 P18054 1/20 0.49
RAB9A P51151 2/20 0.48
MAPK1 P28482 1/20 0.48
TAAR1 Q96RJ0 1/20 0.47
ANPEP P15144 1/20 0.47
EPHX2 P34913 1/20 0.47
PLA2G1B P04054 1/20 0.46
ATG4B Q9Y4P1 1/20 0.46
GAA P10253 1/20 0.46
KMT2A Q03164 1/20 0.46
POLB P06746 1/20 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
SCHEMBL20496871 0.83 LMNA (0.54) PTPN7DUSP3SRCLMNAALDH1A1
SCHEMBL16216086 0.82 SRC (0.49) PTPN7DUSP3SRCALDH1A1RAB9A
SCHEMBL885310 0.82 SRC (0.56) SRCALDH1A1RAB9AMAPK1ANPEP
SCHEMBL30006359 0.82 SRC (0.56) SRCALDH1A1RAB9AMAPK1ANPEP
SCHEMBL5528698 0.82 PTPN7 (0.50) PTPN7DUSP3SRCLMNAALDH1A1
SCHEMBL1551100 0.79 GAA (0.64) PTPN7DUSP3SRCLMNAALDH1A1
SCHEMBL4867572 0.77 PLA2G1B (0.70) LMNAALDH1A1PLA2G1BATG4BGAA
SCHEMBL2451899 0.77 ALOX12 (0.68) LMNAALDH1A1MAPTPKMALOX12
SCHEMBL3109722 0.76 SRC (0.61) SRCALDH1A1RAB9AMAPK1ANPEP
SCHEMBL29699631 0.76 SRC (0.61) SRCALDH1A1RAB9AMAPK1ANPEP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1436249-B1 MUSCARINIC AGONISTS LILLY CO ELI (US) 2013-11-06 EP disclosed
US-7326731-B2 Muscarinic agonists ELI LILLY AND COMPANY (US) 2008-02-05 US disclosed
CN-1556788-A Muscarinic agonists 2004-12-22 CN disclosed
US-20040242584-A1 exemplified by Biphenyl-4-carboxylic acid (R)-(6-(1-((4-fluorobenzyl)methylamino)ethylideneamino) 2(R)-hydroxyindan-1-yl)amide; treating cognitive impairment associated with schizophrenia or Alzheimer's disease ELI LILLY AND COMPANY 2004-12-02 US disclosed
EP-1436249-A2 MUSCARINIC AGONISTS ELI LILLY AND COMPANY (US) 2004-07-14 EP disclosed
WO-2003027061-A2 MUSCARINIC AGONISTS ELI LILLY AND COMPANY (US) 2003-04-03 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 (1 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-20040242584-A1 exemplified by Biphenyl-4-carboxylic acid (R)-(6-(1-((4-fluorobenzyl)methylamino)ethylideneamino) 2(R)-hydroxyindan-1-yl)amide; treating cognitive impairment associated with schizophrenia or Alzheimer's disease CHRM1, CHRM2, CHRM4 PTPN7 3400/4885DUSP3 4794/4885SRC 3678/4885

“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.