SCHEMBL3072919

SCHEMBL3072919

CC(C)(C)c1ccc2oc(S)nc2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
GFER P55789 1/20 0.48
FBP1 P09467 2/20 0.44
TRPV1 Q8NER1 2/20 0.43
F2RL3 Q96RI0 3/20 0.41
HDAC3 O15379 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
CNR2 P34972 5/20 0.40
MEN1 O00255 1/20 0.39
MAPT P10636 1/20 0.39
KMT2A Q03164 1/20 0.39
PON1 P27169 1/20 0.36
KCNH2 Q12809 1/20 0.35
SCN10A Q9Y5Y9 1/20 0.35
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34

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
SCHEMBL29594055 1.00 NPC1 (0.48) NPC1RAB9AGFERFBP1TRPV1
SCHEMBL31208289 0.82 KDM4E (0.42) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL1705418 0.82 KDM4E (0.42) HDAC3HDAC1HDAC2HDAC8HDAC6
Methane SCHEMBL11094670 0.81 HDAC3 (0.43) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL4399183 0.80 L3MBTL1 (0.53) NPC1RAB9AGFERFBP1TRPV1
SCHEMBL2706413 0.80 NPC1 (0.49) NPC1RAB9AGFERFBP1TRPV1
SCHEMBL23095285 0.79 NPC1 (0.48) NPC1RAB9AGFERFBP1TRPV1
SCHEMBL3068277 0.79 FBP1 (0.50) NPC1RAB9AGFERFBP1TRPV1
SCHEMBL179531 0.79 MAPT (0.56) NPC1RAB9AGFERFBP1TRPV1
SCHEMBL10045295 0.79 NPC1 (0.51) NPC1RAB9AGFERFBP1TRPV1

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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113185511-B Pyrimidine compound and preparation method and application thereof 中国医学科学院医药生物技术研究所 2022-04-26 CN disclosed
CN-113185511-A Pyrimidine compound and preparation method and application thereof 中国医学科学院医药生物技术研究所 2021-07-30 CN disclosed
US-9156834-B2 Derivatives of heteroarylsulfonamides, their preparation and their application in human therapy PIERRE FABRE MEDICAMENT (FR) 2015-10-13 US disclosed
US-9156834-B2 Derivatives of heteroarylsulfonamides, their preparation and their application in human therapy PIERRE FABRE MEDICAMENT (FR) 2015-10-13 US disclosed
US-9156834-B2 Derivatives of heteroarylsulfonamides, their preparation and their application in human therapy PIERRE FABRE MEDICAMENT (FR) 2015-10-13 US disclosed
US-20140357624-A1 DERIVATIVES OF HETEROARYLSULFONAMIDES, THEIR PREPARATION AND THEIR APPLICATION IN HUMAN THERAPY PF MEDICAMENT (FR) 2014-12-04 US disclosed
US-20140357624-A1 DERIVATIVES OF HETEROARYLSULFONAMIDES, THEIR PREPARATION AND THEIR APPLICATION IN HUMAN THERAPY PF MEDICAMENT (FR) 2014-12-04 US disclosed
US-20140357624-A1 DERIVATIVES OF HETEROARYLSULFONAMIDES, THEIR PREPARATION AND THEIR APPLICATION IN HUMAN THERAPY PF MEDICAMENT (FR) 2014-12-04 US disclosed
US-8846930-B2 Derivatives of heteroarylsulfonamides, their preparation and their application in human therapy PIERRE FABRE MEDICAMENT (FR) 2014-09-30 US disclosed
US-8846930-B2 Derivatives of heteroarylsulfonamides, their preparation and their application in human therapy PIERRE FABRE MEDICAMENT (FR) 2014-09-30 US disclosed
US-20130172326-A1 DERIVATIVES OF HETEROARYLSULFONAMIDES, THEIR PREPARATION AND THEIR APPLICATION IN HUMAN THERAPY PIERRE FABRE MEDICAMENT (FR) 2013-07-04 US disclosed
US-20130172326-A1 DERIVATIVES OF HETEROARYLSULFONAMIDES, THEIR PREPARATION AND THEIR APPLICATION IN HUMAN THERAPY PIERRE FABRE MEDICAMENT (FR) 2013-07-04 US disclosed
WO-2012069503-A1 DERIVATIVES OF HETEROARYLSULFONAMIDES, THEIR PREPARATION AND THEIR APPLICATION IN HUMAN THERAPY PIERRE FABRE MEDICAMENT (FR) 2012-05-31 WO disclosed
WO-2012069503-A1 DERIVATIVES OF HETEROARYLSULFONAMIDES, THEIR PREPARATION AND THEIR APPLICATION IN HUMAN THERAPY PIERRE FABRE MEDICAMENT (FR) 2012-05-31 WO disclosed
US-20100261708-A1 Diazepane Compounds Which Modulate The CB2 Receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-10-14 US disclosed
EP-2215080-A1 DIAZEPANE COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR Boehringer Ingelheim International GmbH (DE) 2010-08-11 EP disclosed
WO-2009055357-A1 DIAZEPANE COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-04-30 WO disclosed
WO-2009055357-A1 DIAZEPANE COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-04-30 WO disclosed
US-4168982-A Photopolymerizable compositions containing nitroso dimers to selectively inhibit thermal polymerization E. I. DU PONT DE NEMOURS AND COMPANY (US) 1979-09-25 US disclosed
US-4009040-A DEPOLYMERIZATION TO FORM POSITIVE IMAGES E. I. DU PONT DE NEMOURS AND COMPANY (US) 1977-02-22 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 (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-20130172326-A1 DERIVATIVES OF HETEROARYLSULFONAMIDES, THEIR PREPARATION AND THEIR APPLICATION IN HUMAN THERAPY KCNA4, KCNA1, KCNB1 NPC1 832/4885RAB9A 2024/4885GFER 622/4885
US-20100261708-A1 Diazepane Compounds Which Modulate The CB2 Receptor CNR1, CNR2, BDKRB2 NPC1 1695/4885RAB9A 3016/4885GFER 3118/4885
US-20140357624-A1 DERIVATIVES OF HETEROARYLSULFONAMIDES, THEIR PREPARATION AND THEIR APPLICATION IN HUMAN THERAPY KCNA4, KCNA1, KCNB1 NPC1 832/4885RAB9A 2024/4885GFER 622/4885

“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.