SCHEMBL812289

SCHEMBL812289

COc1ccc(CSC2(C(=O)O)CCCCC2)cc1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.45
TSHR P16473 1/20 0.45
LDHA P00338 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
EPHX1 P07099 1/20 0.42
IDO1 P14902 2/20 0.42
SLC22A12 Q96S37 1/20 0.42
EPHX2 P34913 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
FFAR1 O14842 1/20 0.41
CTSK P43235 2/20 0.41
CYP2C9 P11712 1/20 0.41
ALDH1A1 P00352 1/20 0.40

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
SCHEMBL7827231 0.99 LDHA (0.44) MAPTTSHRLDHASMN1; SMN2NPC1
SCHEMBL8823362 0.93 LDHA (0.46) LDHASMN1; SMN2NPC1RAB9AEPHX1
SCHEMBL8392375 0.87 MAPT (0.44) MAPTTSHRSMN1; SMN2NPC1RAB9A
SCHEMBL7827049 0.86 MAPT (0.45) MAPTSMN1; SMN2NPC1RAB9AIDO1
SCHEMBL8823352 0.84 ALDH1A1 (0.46) MAPTSMN1; SMN2MEN1KMT2ACTSK
SCHEMBL769100 0.84 SMN1; SMN2 (0.43) MAPTLDHASMN1; SMN2EPHX1IDO1
SCHEMBL7828984 0.81 EPHX1 (0.46) MAPTLDHASMN1; SMN2NPC1RAB9A
SCHEMBL7825227 0.79 LDHA (0.39) MAPTTSHRLDHASMN1; SMN2NPC1
SCHEMBL7825219 0.79 FFAR1 (0.41) MAPTTSHRLDHASMN1; SMN2NPC1
SCHEMBL7824133 0.79 LDHA (0.39) MAPTLDHASMN1; SMN2NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8058210-B2 Arylphenyl-substituted cyclic keto-enols BAYER CROPSCIENCE AG (DE) 2011-11-15 US disclosed
US-8058210-B2 Arylphenyl-substituted cyclic keto-enols BAYER CROPSCIENCE AG (DE) 2011-11-15 US disclosed
US-7718706-B2 Arylphenyl-substituted cyclic keto-enols BAYER AKTIENGESELLSCHAFT (DE) 2010-05-18 US disclosed
US-7718706-B2 Arylphenyl-substituted cyclic keto-enols BAYER AKTIENGESELLSCHAFT (DE) 2010-05-18 US disclosed
US-20100087320-A1 ARYLPHENYL-SUBSTITUTED CYCLIC KETO-ENOLS LIEB FOLKER 2010-04-08 US disclosed
US-20100087320-A1 ARYLPHENYL-SUBSTITUTED CYCLIC KETO-ENOLS LIEB FOLKER 2010-04-08 US disclosed
US-20080081807-A1 Arylphenyl-substituted cyclic keto-enols LIEB FOLKER 2008-04-03 US disclosed
US-20080081807-A1 Arylphenyl-substituted cyclic keto-enols LIEB FOLKER 2008-04-03 US disclosed
US-7288676-B2 Arylphenyl-substituted cyclic ketoenols BAYER CROPSCIENCE AG (DE) 2007-10-30 US disclosed
US-7288676-B2 Arylphenyl-substituted cyclic ketoenols BAYER CROPSCIENCE AG (DE) 2007-10-30 US disclosed
US-20030096806-A1 Arylphenyl-substituted cyclic ketoenols LIEB FOLKER (DE) 2003-05-22 US disclosed
US-6451843-B1 Arylphenyl-substituted cyclic keto enols BAYER AKTIENGESELLSCHAFT (DE) 2002-09-17 US disclosed
US-5945444-A PESTICIDES; CONTROLLING ARTHROPODS, NEMATODES BAYER AKTIENGESELLSCHAFT (DE) 1999-08-31 US disclosed
EP-0534363-B1 Novel 2-substituted indane-2-mercaptoacetylamide derivatives useful as inhibitors of enkephalinase and ace MERRELL PHARMA INC (US) 1997-07-09 EP disclosed
US-5529996-A USEFUL FOR CONGESTIVE HEART FAILURE, DIURETIC EFFECT, IRRITABLE BOWL MOVEMENT, ENDORPHIN OR ENKEPHALIN MEDIATED ANALGESIC EFFECTS AND ALSO HYPOTENSIVE AGENT MERRELL DOW PHARMACEUTICALS INC. (US) 1996-06-25 US disclosed
US-5486513-A 2-substituted indane-2-mercaptoacetylamide derivatives useful as inhibitors or enkephalinase and ace MERRELL DOW PHARMACEUTICALS INC. (US) 1996-01-23 US disclosed
US-5428158-A 2-substituted indane-2-mercaptoacetylamide derivatives useful as inhibitors of enkephalinase and ace MERRELL DOW PHARMACEUTICALS INC. (US) 1995-06-27 US disclosed
EP-0534363-A2 Novel 2-substituted indane-2-mercaptoacetylamide derivatives useful as inhibitors of enkephalinase and ace MERRELL PHARMACEUTICALS INC. (US) 1993-03-31 EP 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-20030096806-A1 Arylphenyl-substituted cyclic ketoenols KCNE1, KCNQ3, SULT1E1 MAPT 4861/4885TSHR 1570/4885LDHA 3547/4885
US-20080081807-A1 Arylphenyl-substituted cyclic keto-enols KCNE1, DDT, KCNQ3 MAPT 4775/4885TSHR 1322/4885LDHA 3314/4885
US-20100087320-A1 ARYLPHENYL-SUBSTITUTED CYCLIC KETO-ENOLS KCNE1, DDT, KCNQ3 MAPT 4775/4885TSHR 1322/4885LDHA 3314/4885

“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.