SCHEMBL12433138

SCHEMBL12433138

O=Cc1ccccc1C1=COc2ccccc2O1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
TDP1 Q9NUW8 2/20 0.40
LMNA P02545 2/20 0.40
THRB P10828 1/20 0.40
BLM P54132 1/20 0.40
NTSR1 P30989 1/20 0.35
GPR55 Q9Y2T6 1/20 0.35
ALDH1A1 P00352 3/20 0.34
TSHR P16473 2/20 0.34
TRIM24 O15164 1/20 0.34
TRIM33 Q9UPN9 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
MCL1 Q07820 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
XDH P47989 1/20 0.33
MTNR1A P48039 1/20 0.32
PKM P14618 1/20 0.32
HPGD P15428 1/20 0.32
HTT P42858 1/20 0.32

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
SCHEMBL7456134 0.70 LMNA (0.41) KMT2AMEN1TDP1LMNATHRB
SCHEMBL7203996 0.70 NTSR1 (0.41) KMT2AMEN1TDP1LMNATHRB
SCHEMBL249552 0.70 KMT2A (0.71) KMT2AMEN1TDP1LMNATHRB
SCHEMBL31175932 0.70 KMT2A (0.71) KMT2AMEN1TDP1LMNATHRB
SCHEMBL12433110 0.69 PDCD1 (0.36) MTNR1AHDAC6STK17B
SCHEMBL23633181 0.69 MTNR1A (0.35) NTSR1GPR55MTNR1A
SCHEMBL12511209 0.68
SCHEMBL2111136 0.68 TYMS (0.44) KMT2AMEN1TDP1LMNATHRB
SCHEMBL31588841 0.68 KMT2A (0.67) KMT2AMEN1TDP1LMNATHRB
SCHEMBL27511393 0.68 KMT2A (0.67) KMT2AMEN1TDP1LMNATHRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1737815-B1 THIO-SUBSTITUTED BIARYL-METHANESULFINYL DERIVATIVES CEPHALON INC (US) 2016-12-21 EP disclosed
US-7981907-B2 Thio-substituted biarylmethanesulfinyl derivatives CEPHALON, INC. (US) 2011-07-19 US disclosed
US-7981907-B2 Thio-substituted biarylmethanesulfinyl derivatives CEPHALON, INC. (US) 2011-07-19 US disclosed
US-20090062284-A1 Thio-Substituted Biarylmethanesulfinyl Derivatives CEPHALON, INC. (US) 2009-03-05 US disclosed
US-20090062284-A1 Thio-Substituted Biarylmethanesulfinyl Derivatives CEPHALON, INC. (US) 2009-03-05 US disclosed
US-7449481-B2 e.g. 2-[2-(5-chloro-benzo[b]thiophen-2-yl)-phenylmethanesulfinyl]-acetamide; autoimmune disorders, antidepressant; narcolepsy, Parkinson's, Alzheimer's disease; attention deficit hyperactivity disorder; sleep disorder, fatigue CEPHALON, INC. (US) 2008-11-11 US disclosed
US-7449481-B2 e.g. 2-[2-(5-chloro-benzo[b]thiophen-2-yl)-phenylmethanesulfinyl]-acetamide; autoimmune disorders, antidepressant; narcolepsy, Parkinson's, Alzheimer's disease; attention deficit hyperactivity disorder; sleep disorder, fatigue CEPHALON, INC. (US) 2008-11-11 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-20090062284-A1 Thio-Substituted Biarylmethanesulfinyl Derivatives AANAT, SNCA, NAT1 KMT2A 630/4885MEN1 4433/4885TDP1 308/4885

“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.