SCHEMBL1889809

SCHEMBL1889809

Cc1ccc(SC(CC=O)c2ccccc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.43
ALDH1A1 P00352 3/20 0.43
NPSR1 Q6W5P4 3/20 0.43
TDP1 Q9NUW8 2/20 0.43
HSP90AA1 P07900 1/20 0.43
MAPK1 P28482 1/20 0.43
AGTR1 P30556 1/20 0.43
ATM Q13315 1/20 0.43
L3MBTL1 Q9Y468 4/20 0.42
KMT2A Q03164 6/20 0.39
MEN1 O00255 5/20 0.39
LMNA P02545 3/20 0.39
NFKB1 P19838 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
HKDC1 Q2TB90 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.35
POLB P06746 1/20 0.35
PKM P14618 1/20 0.35
HPGD P15428 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
SCHEMBL1894870 0.88 SMN1; SMN2 (0.39) MAPTALDH1A1NPSR1TDP1MAPK1
SCHEMBL1894103 0.84 HSD17B10 (0.42) MAPTALDH1A1NPSR1L3MBTL1KMT2A
SCHEMBL1889599 0.80 MAPT (0.36) MAPTL3MBTL1KMT2AMEN1LMNA
SCHEMBL16596846 0.80 ALDH1A1 (0.44) MAPTALDH1A1NPSR1TDP1HSP90AA1
SCHEMBL27915714 0.78 L3MBTL1 (0.43) MAPTALDH1A1NPSR1TDP1HSP90AA1
SCHEMBL10046358 0.75 CYP2D6 (0.35) MAPTALDH1A1NPSR1TDP1MAPK1
SCHEMBL5995430 0.75 CNR1 (0.45) ALDH1A1KMT2AMEN1LMNASMN1; SMN2
SCHEMBL15944403 0.74 HPGD (0.46) MAPTALDH1A1NPSR1TDP1HSP90AA1
SCHEMBL17280848 0.72 HRH1 (0.43) MAPTALDH1A1NPSR1TDP1HSP90AA1
SCHEMBL23531275 0.71 RIPK1 (0.34) MAPTALDH1A1KMT2ALMNASLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7935669-B2 Compounds for a controlled release of active molecules FIRMENICH SA (CH) 2011-05-03 US claimed
US-20090181878-A1 COMPOUNDS FOR A CONTROLLED RELEASE OF ACTIVE MOLECULES FIRMENICH SA 2009-07-16 US claimed
EP-1460994-B1 COMPOUNDS FOR A CONTROLLED RELEASE OF ACTIVE MOLECULES FIRMENICH & CIE (CH) 2008-10-01 EP claimed
US-20040220074-A1 Compounds for a controlled release of active molecules FIRMENICH SA (CH) 2004-11-04 US claimed
EP-1460994-A2 COMPOUNDS FOR A CONTROLLED RELEASE OF ACTIVE MOLECULES FIRMENICH SA (CH) 2004-09-29 EP claimed
WO-2003049666-A2 COMPOUNDS FOR A CONTROLLED RELEASE OF ACTIVE MOLECULES FIRMENICH SA (CH) 2003-06-19 WO claimed
US-7935669-B2 Compounds for a controlled release of active molecules FIRMENICH SA (CH) 2011-05-03 US disclosed
US-7723286-B2 Compounds for a controlled release of active molecules FIRMENICH SA (CH) 2010-05-25 US disclosed
US-20090181878-A1 COMPOUNDS FOR A CONTROLLED RELEASE OF ACTIVE MOLECULES FIRMENICH SA 2009-07-16 US disclosed
EP-1460994-B1 COMPOUNDS FOR A CONTROLLED RELEASE OF ACTIVE MOLECULES FIRMENICH & CIE (CH) 2008-10-01 EP disclosed
US-20040220074-A1 Compounds for a controlled release of active molecules FIRMENICH SA (CH) 2004-11-04 US disclosed
EP-1460994-A2 COMPOUNDS FOR A CONTROLLED RELEASE OF ACTIVE MOLECULES FIRMENICH SA (CH) 2004-09-29 EP disclosed
WO-2003049666-A2 COMPOUNDS FOR A CONTROLLED RELEASE OF ACTIVE MOLECULES FIRMENICH SA (CH) 2003-06-19 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-20040220074-A1 Compounds for a controlled release of active molecules ACLY, PTGES, NOTUM MAPT 2531/4885ALDH1A1 355/4885NPSR1 1329/4885
US-20090181878-A1 COMPOUNDS FOR A CONTROLLED RELEASE OF ACTIVE MOLECULES ACLY, PTGES, PPOX MAPT 2549/4885ALDH1A1 315/4885NPSR1 1452/4885

“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.