SCHEMBL2064142

SCHEMBL2064142

CCOC(=O)c1sc(C(=O)O)c(C)c1C

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.56
RAB9A P51151 3/20 0.56
NPC1 O15118 1/20 0.56
ALDH1A1 P00352 9/20 0.53
KMT2A Q03164 4/20 0.53
MEN1 O00255 3/20 0.53
GAA P10253 3/20 0.51
HSD17B10 Q99714 2/20 0.51
KDM4E B2RXH2 1/20 0.51
TSHR P16473 1/20 0.50
PKM P14618 1/20 0.47
MC4R P32245 1/20 0.47
CYP1A2 P05177 1/20 0.46
POLB P06746 1/20 0.46
HPGD P15428 3/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
MAPK1 P28482 2/20 0.45
ALOX15 P16050 1/20 0.45
PPARG P37231 1/20 0.44
NCOA2 Q15596 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
SCHEMBL10925924 0.80 MAPT (0.56) MAPTRAB9ANPC1ALDH1A1KMT2A
SCHEMBL2808132 0.80 GPR35 (0.52) MAPTALDH1A1KMT2AMEN1GAA
SCHEMBL11030915 0.78 PKM (0.44) MAPTRAB9ANPC1ALDH1A1KMT2A
Hydrochloric Acid SCHEMBL11597163 0.78 GPR35 (0.50) MAPTALDH1A1KMT2AMEN1KDM4E
SCHEMBL1141274 0.77 GAA (0.56) MAPTRAB9ANPC1ALDH1A1KMT2A
SCHEMBL15210472 0.77 MAPT (0.61) MAPTRAB9ANPC1ALDH1A1KMT2A
SCHEMBL16827248 0.76 MAPT (0.56) MAPTRAB9ANPC1ALDH1A1KMT2A
SCHEMBL8539138 0.75 KMT2A (0.44) MAPTRAB9ANPC1ALDH1A1KMT2A
SCHEMBL29980612 0.75 KMT2A (0.55) MAPTRAB9ANPC1ALDH1A1KMT2A
Lithium SCHEMBL7065338 0.75 GAA (0.55) MAPTRAB9ANPC1ALDH1A1KMT2A

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 14 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
EP-2222667-B1 NOVEL THIOPHENE DERIVATIVES AS AGONISTS OF S1P1/EDG1 ACTELION PHARMACEUTICALS LTD (CH) 2013-02-20 EP disclosed
US-8221719-B2 Luminescent lanthanide (III) chelates, chelating agents and conjugates derived thereof WALLAC OY (FI) 2012-07-17 US disclosed
US-8148410-B2 Thiophene derivatives as agonists of S1P1/EDG1 ACTELION PHARMACEUTICALS LTD. (CH) 2012-04-03 US disclosed
US-20100261702-A1 THIOPHENE DERIVATIVES AS AGONISTS OF S1P1/EDG1 ACTELION PHARMACEUTICALS LTD. (CH) 2010-10-14 US disclosed
EP-2222667-A2 NOVEL THIOPHENE DERIVATIVES AS AGONISTS OF S1P1/EDG1 Actelion Pharmaceuticals Ltd. (CH) 2010-09-01 EP 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-2009074950-A2 THIOPHENE DERIVATIVES AS AGONISTS OF S1P1/EDG1 ACTELION PHARMACEUTICALS LTD (CH) 2009-06-18 WO 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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-20100261702-A1 THIOPHENE DERIVATIVES AS AGONISTS OF S1P1/EDG1 S1PR1, S1PR3, S1PR5 MAPT 4174/4885RAB9A 2410/4885NPC1 729/4885
US-20100204442-A1 Luminescent lanthanide (III) chelates, chelating agents and conjugates derived thereof LNPEP, SLC39A3, LAP3 MAPT 2629/4885RAB9A 3067/4885NPC1 2433/4885

“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.