SCHEMBL3010802

SCHEMBL3010802

CCOC(=O)c1scc(C)c1C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 1/20 0.46
ADRA2B P18089 1/20 0.46
ADRA2C P18825 1/20 0.46
NPC1 O15118 6/20 0.46
RAB9A P51151 6/20 0.46
MAPT P10636 5/20 0.46
ALOX15 P16050 1/20 0.45
ALDH1A1 P00352 5/20 0.44
KMT2A Q03164 5/20 0.44
SMN1; SMN2 Q16637 5/20 0.44
MEN1 O00255 4/20 0.44
HPGD P15428 3/20 0.44
NFKB1 P19838 2/20 0.44
NFKB2 Q00653 2/20 0.44
RELA Q04206 2/20 0.44
PKM P14618 1/20 0.44
STAT1 P42224 1/20 0.44
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44

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
SCHEMBL3041792 0.83 MAPT (0.46) NPC1RAB9AMAPTALOX15ALDH1A1
SCHEMBL6030900 0.83 TSHR (0.50) NPC1RAB9AMAPTALDH1A1KMT2A
SCHEMBL23046636 0.82 GSK3B (0.43) ADRA2AADRA2BADRA2CNPC1RAB9A
SCHEMBL189938 0.81 ALDH1A1 (0.49) ADRA2AADRA2BADRA2CNPC1RAB9A
SCHEMBL12086808 0.80 GAA (0.47) ADRA2AADRA2BADRA2CNPC1RAB9A
Hydrochloric Acid SCHEMBL7030116 0.80 ALDH1A1 (0.51) ADRA2AADRA2BADRA2CNPC1RAB9A
SCHEMBL167302 0.80 MAPT (0.51) MAPTALDH1A1KMT2ASMN1; SMN2HPGD
SCHEMBL23046629 0.80 ALDH1A1 (0.40) ADRA2AADRA2BADRA2CNPC1RAB9A
SCHEMBL18430430 0.79 KDM4E (0.49) NPC1RAB9AMAPTALOX15ALDH1A1
SCHEMBL5474697 0.78 ALDH1A1 (0.47) NPC1RAB9AMAPTALDH1A1KMT2A

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
EP-2195310-B1 LUMINESCENT LANTHANIDE (III) CHELATES, CHELATING AGENTS AND CONJUGATES DERIVED THEREOF WALLAC OY (FI) 2016-06-01 EP disclosed
EP-2195310-B1 LUMINESCENT LANTHANIDE (III) CHELATES, CHELATING AGENTS AND CONJUGATES DERIVED THEREOF WALLAC OY (FI) 2016-06-01 EP disclosed
CN-103224485-A Method for preparing 3-thionphene ethyl formate compound BEIJING GREENCHEM TECHNOLOGY CO LTD 2013-07-31 CN disclosed
US-8221719-B2 Luminescent lanthanide (III) chelates, chelating agents and conjugates derived thereof WALLAC OY (FI) 2012-07-17 US disclosed
US-20100204442-A1 Luminescent lanthanide (III) chelates, chelating agents and conjugates derived thereof WALLAC OY (FI) 2010-08-12 US disclosed
US-20100204442-A1 Luminescent lanthanide (III) chelates, chelating agents and conjugates derived thereof WALLAC OY (FI) 2010-08-12 US disclosed
US-20100204442-A1 Luminescent lanthanide (III) chelates, chelating agents and conjugates derived thereof WALLAC OY (FI) 2010-08-12 US disclosed
EP-2195310-A1 LUMINESCENT LANTHANIDE (III) CHELATES, CHELATING AGENTS AND CONJUGATES DERIVED THEREOF Wallac OY (FI) 2010-06-16 EP disclosed
WO-2009030819-A1 LUMINESCENT LANTHANIDE (III) CHELATES, CHELATING AGENTS AND CONJUGATES DERIVED THEREOF WALLAC OY (FI) 2009-03-12 WO disclosed
WO-2009030819-A1 LUMINESCENT LANTHANIDE (III) CHELATES, CHELATING AGENTS AND CONJUGATES DERIVED THEREOF WALLAC OY (FI) 2009-03-12 WO disclosed
EP-1844020-A1 HETEROCYCLIC CARBOXAMIDE COMPOUNDS AS STEROID NUCLEAR RECEPTOR LIGANDS Exelixis, Inc. (US) 2007-10-17 EP disclosed
WO-2006076202-A1 HETEROCYCLIC CARBOXAMIDE COMPOUNDS AS STEROID NUCLEAR RECEPTORS LIGANDS EXELIXIS, INC. (US) 2006-07-20 WO disclosed
EP-0889891-B1 4-[(THIEN-2-YL)METHYL]IMIDAZOLE DERIVATIVES HAVING ALPHA2-ADRENOCEPTOR AGONISTIC ACTIVITY ORTHO MCNEIL PHARM INC (US) 2001-06-06 EP disclosed
EP-0889891-A1 4-[(THIEN-2-YL)METHYL]IMIDAZOLE DERIVATIVES HAVING ALPHA2-ADRENOCEPTOR AGONISTIC ACTIVITY ORTHO PHARMACEUTICAL CORPORATION (US) 1999-01-13 EP disclosed
WO-1997035857-A1 4-[(THIEN-2-YL)METHYL]IMIDAZOLE DERIVATIVES HAVING ALPHA2-ADRENOCEPTOR AGONISTIC ACTIVITY ORTHO PHARMACEUTICAL CORPORATION (US) 1997-10-02 WO disclosed
US-5621113-A ALPHA 2 ADRENOCEPTOR AGONISTS ORTHO PHARMACEUTICAL CORPORATION (US) 1997-04-15 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 (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-20100204442-A1 Luminescent lanthanide (III) chelates, chelating agents and conjugates derived thereof LNPEP, SLC39A3, LAP3 ADRA2A 4828/4885ADRA2B 4839/4885ADRA2C 4836/4885

“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.