SCHEMBL1889599

SCHEMBL1889599

Cc1cc(SC(CC=O)c2ccccc2)ccc1Br

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.36
MEN1 O00255 1/20 0.36
RECQL P46063 1/20 0.36
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
PPARD Q03181 11/20 0.35
NPC1 O15118 2/20 0.33
POLB P06746 2/20 0.33
RAB9A P51151 2/20 0.33
LMNA P02545 2/20 0.32
CYP1A2 P05177 2/20 0.32
CYP3A4 P08684 2/20 0.32
CYP2C9 P11712 2/20 0.32
CYP2C19 P33261 2/20 0.32
CYP2D6 P10635 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL1889809 0.80 MAPT (0.43) MAPTMEN1KMT2ASMN1; SMN2NPC1
SCHEMBL1894870 0.77 SMN1; SMN2 (0.39) MAPTMEN1KMT2ASMN1; SMN2POLB
SCHEMBL1894103 0.74 HSD17B10 (0.42) MAPTKMT2ASMN1; SMN2LMNACYP2C9
SCHEMBL1889603 0.73 MEN1 (0.36) MAPTMEN1RECQLKMT2ASMN1; SMN2
SCHEMBL10046358 0.69 CYP2D6 (0.35) MAPTMEN1KMT2ALMNACYP1A2
SCHEMBL23531275 0.65 RIPK1 (0.34) MAPTKMT2ALMNACYP2C19CYP2D6
SCHEMBL23531297 0.65 CYP2D6 (0.34) MAPTCYP3A4CYP2C19CYP2D6L3MBTL1
SCHEMBL19990998 0.63 PKM (0.42) MAPTMEN1KMT2ASMN1; SMN2LMNA
SCHEMBL10595472 0.62 ALDH1A1 (0.40) MAPTMEN1RECQLKMT2ASMN1; SMN2
SCHEMBL10341619 0.62 ALDH1A1 (0.40) MAPTMEN1RECQLKMT2ASMN1; SMN2

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 2531/4885MEN1 4581/4885RECQL 2247/4885
US-20090181878-A1 COMPOUNDS FOR A CONTROLLED RELEASE OF ACTIVE MOLECULES ACLY, PTGES, PPOX MAPT 2549/4885MEN1 4691/4885RECQL 2710/4885

“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.