SCHEMBL6720484

SCHEMBL6720484

CCC(Cc1ccccc1)S(=O)(=O)O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 2/20 0.47
CYP1A2 P05177 1/20 0.44
CTRB1 P17538 4/20 0.44
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
ALPI P09923 1/20 0.41
PKM P14618 1/20 0.41
PTGS1 P23219 1/20 0.41
XIAP P98170 1/20 0.41
SLC7A5 Q01650 1/20 0.41
CTSC P53634 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
SLC6A2 P23975 2/20 0.41
TAAR1 Q96RJ0 2/20 0.41
MAOA P21397 1/20 0.41
SLC6A4 P31645 1/20 0.41
SLC6A3 Q01959 1/20 0.41
SIGMAR1 Q99720 1/20 0.41
CYP2A6 P11509 1/20 0.41

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
SCHEMBL23654696 0.88 CYP1A2 (0.50) CYP1A2CTRB1ALPIPKMPTGS1
SCHEMBL6720483 0.82 TRPA1 (0.44) TRPA1CYP1A2MEN1KMT2ASLC6A2
SCHEMBL11498472 0.82 MMP1 (0.47) SIGMAR1
SCHEMBL10413736 0.81 CTSC (0.31) TRPA1CTSC
SCHEMBL5262159 0.81 GAA (0.40) NPC1RAB9APOLB
SCHEMBL3837706 0.81 CA2 (0.46) TRPA1CYP1A2ALPIPKMPTGS1
SCHEMBL27683551 0.81 ALPI (0.46) CYP1A2ALPIPKMPTGS1XIAP
SCHEMBL14937382 0.80 CSNK1E (0.54)
SCHEMBL353773 0.78 ALPI (0.43) CYP1A2ALPIPKMPTGS1XIAP
SCHEMBL12268068 0.77 MMP8 (0.47) NPC1MEN1KMT2APOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10364217-B2 Chemical compounds RESMAN AS (NO) 2019-07-30 US disclosed
US-20160214930-A1 CHEMICAL COMPOUNDS RESMAN AS (NO) 2016-07-28 US disclosed
US-20150094240-A1 CHEMICAL COMPOUNDS RESMAN AS (NO) 2015-04-02 US disclosed
US-20040097728-A1 Method for producing anellated tetrahydro-{1h}-triazoles BASF AKTIENGESELLSCHAFT (DE) 2004-05-20 US disclosed
US-6737544-B1 HEATING ABOVE MELTING POINT BASF AKTIENGESELLSCHAFT (DE) 2004-05-18 US disclosed
US-6639070-B1 4-substituted 1,3,4-oxadiazines; herbicides BASF AKTIENGESELLSCHAFT (DE) 2003-10-28 US disclosed
EP-1187819-B1 N-SUBSTITUTED PERHYDRO DIAZINE BASF AG (DE) 2003-07-23 EP disclosed
EP-1315733-A2 METHOD FOR PRODUCING ANELLATED TETRAHYDRO-[1H]-TRIAZOLES BASF AKTIENGESELLSCHAFT (DE) 2003-06-04 EP disclosed
EP-1218350-A1 1-ARYL-1,3-DIHYDRO-IMIDAZOL-2-(THI)ONE DERIVATIVES, PRODUCTION OF SAID COMPOUND AND USE AS A DESSICATING/DEFOLIATING AGENT FOR PLANTS BASF AKTIENGESELLSCHAFT (DE) 2002-07-03 EP disclosed
EP-1187820-A1 SUBSTITUTED UREAS BASF AKTIENGESELLSCHAFT (DE) 2002-03-20 EP disclosed
US-6150303-A Substituted 3-phenylisoxazolines BASF AKTIENGESELLSCHAFT (DE) 2000-11-21 US disclosed
WO-2000026194-A1 NOVEL 1-ARYL-4-THIOURACILS BASF AKTIENGESELLSCHAFT (DE) 2000-05-11 WO disclosed
EP-0998468-A1 SUBSTITUTED 3-PHENYL ISOXAZOLINES BASF AKTIENGESELLSCHAFT (DE) 2000-05-10 EP disclosed
WO-2000023413-A1 METHOD FOR DRYING PHENOXYMETHYLBENZOIC ACIDS BASF AKTIENGESELLSCHAFT (DE) 2000-04-27 WO disclosed
WO-1999005130-A1 SUBSTITUTED 3-PHENYL ISOXAZOLINES BASF AKTIENGESELLSCHAFT (DE) 1999-02-04 WO disclosed
EP-0891336-A1 SUBSTITUTED 1-METHYL-3-BENZYLURACILS BASF AKTIENGESELLSCHAFT (DE) 1999-01-20 EP disclosed
CN-1189824-A 1-amino-3-benzyluracils BASF AG (DE) 1998-08-05 CN disclosed
EP-0835248-A1 1-AMINO-3-BENZYLURACILS BASF AKTIENGESELLSCHAFT (DE) 1998-04-15 EP disclosed
WO-1997035845-A1 SUBSTITUTED 1-METHYL-3-BENZYLURACILS BASF AKTIENGESELLSCHAFT (DE) 1997-10-02 WO disclosed
WO-1997001543-A1 1-AMINO-3-BENZYLURACILS BASF AKTIENGESELLSCHAFT (DE) 1997-01-16 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 (4 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-20160214930-A1 CHEMICAL COMPOUNDS PTGES, PTGIS, PTGFR TRPA1 456/4885CYP1A2 574/4885CTRB1 1494/4885
US-20040097728-A1 Method for producing anellated tetrahydro-{1h}-triazoles CBR1, CBR3, QSOX1 TRPA1 1681/4885CYP1A2 32/4885CTRB1 1783/4885
US-20150094240-A1 CHEMICAL COMPOUNDS PTGES, PTGIS, PTGFR TRPA1 456/4885CYP1A2 574/4885CTRB1 1494/4885
US-10364217-B2 Chemical compounds PTGES, PTGIS, PTGFR TRPA1 456/4885CYP1A2 574/4885CTRB1 1494/4885

“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.