SCHEMBL6728558

SCHEMBL6728558

CCC(CS(=O)(=O)O)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 1/20 0.50
GABBR2 O75899 2/20 0.46
GABBR1 Q9UBS5 2/20 0.46
LMNA P02545 4/20 0.45
POLB P06746 2/20 0.42
SRC P12931 1/20 0.41
ALDH1A1 P00352 3/20 0.40
KMT2A Q03164 2/20 0.40
NPSR1 Q6W5P4 2/20 0.40
KDM4E B2RXH2 1/20 0.40
GMNN O75496 1/20 0.40
MAPT P10636 1/20 0.40
HPGD P15428 1/20 0.40
PMP22 Q01453 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
CYP2C19 P33261 1/20 0.39
MEN1 O00255 1/20 0.39
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
PKM P14618 1/20 0.38

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
SCHEMBL1859129 0.88 GABBR2 (0.52) CCR5GABBR2GABBR1LMNAPOLB
SCHEMBL6728556 0.82 CCR5 (0.51) CCR5GABBR2GABBR1LMNAPOLB
SCHEMBL3836196 0.82 CCR5 (0.51) CCR5GABBR2GABBR1LMNAPOLB
SCHEMBL27509017 0.82 GABBR2 (0.47) CCR5GABBR2GABBR1LMNAPOLB
SCHEMBL7194207 0.81 CCR5 (0.47) CCR5GABBR2GABBR1LMNAPOLB
SCHEMBL27967360 0.81 CCR5 (0.44) CCR5GABBR2GABBR1LMNAPOLB
SCHEMBL4601734 0.81 GABBR2 (0.69) GABBR2GABBR1LMNASRCALDH1A1
SCHEMBL28614078 0.80 GABBR2 (0.42) CCR5GABBR2GABBR1LMNAPOLB
SCHEMBL10809368 0.80 CCR5 (0.46) CCR5GABBR2GABBR1LMNAPOLB
SCHEMBL28614077 0.80 GABBR2 (0.42) CCR5GABBR2GABBR1LMNAPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7256306-B2 Arylalkylsulfonic acids and methods for producing same STEPAN COMPANY (US) 2007-08-14 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-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
EP-1187819-A1 N-SUBSTITUTED PERHYDRO DIAZINE BASF AKTIENGESELLSCHAFT (DE) 2002-03-20 EP disclosed
EP-1127053-A1 NOVEL 1-ARYL-4-THIOURACILS BASF AKTIENGESELLSCHAFT (DE) 2001-08-29 EP disclosed
EP-1123266-A1 METHOD FOR DRYING PHENOXYMETHYLBENZOIC ACIDS BASF AKTIENGESELLSCHAFT (DE) 2001-08-16 EP 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
EP-0971904-A1 NOVEL 1-AMINO-3 BENZYL URACILS BASF AKTIENGESELLSCHAFT (DE) 2000-01-19 EP 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
WO-1998042682-A1 NOVEL 1-AMINO-3 BENZYL URACILS BASF AKTIENGESELLSCHAFT (DE) 1998-10-01 WO 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 (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-20040097728-A1 Method for producing anellated tetrahydro-{1h}-triazoles CBR1, CBR3, QSOX1 CCR5 2987/4885GABBR2 1738/4885GABBR1 1721/4885

“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.