SCHEMBL3890957

SCHEMBL3890957

COc1ccc(SCC(C)=O)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.58
MTNR1B P49286 1/20 0.58
NPC1 O15118 3/20 0.56
TP53 P04637 1/20 0.56
PKM P14618 1/20 0.53
MAPT P10636 4/20 0.52
KDM4E B2RXH2 1/20 0.52
KMT2A Q03164 1/20 0.52
ALDH1A1 P00352 5/20 0.52
HDAC3 O15379 1/20 0.50
HDAC4 P56524 1/20 0.50
HDAC1 Q13547 1/20 0.50
HDAC7 Q8WUI4 1/20 0.50
HDAC2 Q92769 1/20 0.50
HDAC10 Q969S8 1/20 0.50
HDAC11 Q96DB2 1/20 0.50
HDAC8 Q9BY41 1/20 0.50
HDAC6 Q9UBN7 1/20 0.50
HDAC9 Q9UKV0 1/20 0.50
HDAC5 Q9UQL6 1/20 0.50

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
SCHEMBL11986271 1.00 MTNR1A (0.58) MTNR1AMTNR1BNPC1TP53PKM
SCHEMBL9362310 0.86 MAPT (0.54) MTNR1AMTNR1BNPC1TP53PKM
SCHEMBL4255888 0.85 ALDH1A1 (0.72) MTNR1AMTNR1BNPC1TP53MAPT
SCHEMBL11986376 0.85 ALDH1A1 (0.72) MTNR1AMTNR1BNPC1TP53MAPT
SCHEMBL10969281 0.83 NPC1 (0.55) MTNR1AMTNR1BNPC1TP53MAPT
SCHEMBL4514495 0.83 NPC1 (0.55) MTNR1AMTNR1BNPC1TP53MAPT
SCHEMBL11210449 0.83 SMN1; SMN2 (0.59) MTNR1AMTNR1BNPC1TP53MAPT
SCHEMBL6084825 0.81 NPC1 (0.54) MTNR1AMTNR1BNPC1TP53MAPT
SCHEMBL7355817 0.81 MTNR1A (0.64) MTNR1AMTNR1BNPC1TP53MAPT
SCHEMBL7769542 0.81 HDAC3 (0.65) NPC1MAPTKMT2AALDH1A1HDAC3

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
EP-2616450-B1 SULFONAMIDE COMPOUNDS KANCERA AB (SE) 2018-05-02 EP disclosed
US-9233946-B2 Sulfonamide compounds KANCERA AB (SE) 2016-01-12 US disclosed
US-9233946-B2 Sulfonamide compounds KANCERA AB (SE) 2016-01-12 US disclosed
US-20130172339-A1 SULFONAMIDE COMPOUNDS KANCERA AB (SE) 2013-07-04 US disclosed
US-20130172339-A1 SULFONAMIDE COMPOUNDS KANCERA AB (SE) 2013-07-04 US disclosed
WO-2012035171-A2 NEW COMPOUNDS KANCERA AB (SE) 2012-03-22 WO disclosed
WO-2011161201-A1 BISARYLSULFONAMIDES USEFUL AS KINASE INHIBITORS IN THE TREATMENT OF INFLAMMATION AND CANCER KANCERA AB (SE) 2011-12-29 WO disclosed
US-20110124840-A1 Synthesis of Homopolymers and Block Copolymers INTEZYNE TECHNOLOGIES, INC. 2011-05-26 US disclosed
US-20090264660-A1 PROCESS FOR ALKYL ARYL SULFIDE DERIVATIVES AND NEW SULFIDE COMPOUNDS Kang, Heonjoong (KR) 2009-10-22 US disclosed
US-20090264660-A1 PROCESS FOR ALKYL ARYL SULFIDE DERIVATIVES AND NEW SULFIDE COMPOUNDS Kang, Heonjoong (KR) 2009-10-22 US disclosed
US-20090264660-A1 PROCESS FOR ALKYL ARYL SULFIDE DERIVATIVES AND NEW SULFIDE COMPOUNDS Kang, Heonjoong (KR) 2009-10-22 US disclosed
EP-1812386-A1 PROCESS FOR ALKYL ARYL SULFIDE DERIVATIVES AND NEW SULFIDE COMPOUNDS Kang, Heonjoong (KR) 2007-08-01 EP disclosed
WO-2006043797-A1 PROCESS FOR ALKYL ARYL SULFIDE DERIVATIVES AND NEW SULFIDE COMPOUNDS KANG HEONJOONG (KR) 2006-04-27 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 (3 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-20110124840-A1 Synthesis of Homopolymers and Block Copolymers PARG, PCNA, PARN MTNR1A 4828/4885MTNR1B 4730/4885NPC1 4675/4885
US-20090264660-A1 PROCESS FOR ALKYL ARYL SULFIDE DERIVATIVES AND NEW SULFIDE COMPOUNDS TST, ARSA, STS MTNR1A 2618/4885MTNR1B 2103/4885NPC1 3668/4885
US-20130172339-A1 SULFONAMIDE COMPOUNDS SULT1A1, STS, ARSA MTNR1A 2214/4885MTNR1B 3237/4885NPC1 3983/4885

“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.