SCHEMBL3089816

SCHEMBL3089816

CCCCCC([S])CCCCC

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.48
TSHR P16473 2/20 0.44
THRB P10828 1/20 0.44
LMNA P02545 2/20 0.43
DNM1 Q05193 2/20 0.43
FDPS P14324 4/20 0.40
GPR84 Q9NQS5 3/20 0.39
SPHK1 Q9NYA1 1/20 0.39
FFAR1 O14842 1/20 0.39
CA1 P00915 1/20 0.39
MAPT P10636 1/20 0.37

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
SCHEMBL4609011 0.97 TSHR (0.50) OPRM1TSHRTHRBLMNADNM1
SCHEMBL8191453 0.97 DNM1 (0.48) OPRM1TSHRTHRBLMNADNM1
SCHEMBL3421738 0.97 TSHR (0.50) OPRM1TSHRTHRBLMNADNM1
SCHEMBL7700484 0.97 TSHR (0.50) OPRM1TSHRTHRBLMNADNM1
SCHEMBL7696737 0.97 TSHR (0.50) OPRM1TSHRTHRBLMNADNM1
SCHEMBL5514104 0.94 OPRM1 (0.43) OPRM1TSHRTHRBLMNADNM1
SCHEMBL10862622 0.94 DNM1 (0.52) OPRM1TSHRTHRBLMNADNM1
SCHEMBL10423266 0.94 DNM1 (0.52) OPRM1TSHRTHRBLMNADNM1
SCHEMBL8957564 0.91 TSHR (0.44) OPRM1TSHRTHRBLMNADNM1
SCHEMBL276723 0.88

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100279963-A1 DICARBONYL DERIVATIVES AND METHODS OF USE ABRAXIS BIOSCIENCE, LLC (US) 2010-11-04 US disclosed
US-7799954-B2 Dicarbonyl derivatives and methods of use ABRAXIS BIOSCIENCE, LLC (US) 2010-09-21 US disclosed
EP-2125694-A2 DICARBONYL DERIVATIVES AND METHODS OF USE Abraxis BioScience, Inc. (US) 2009-12-02 EP disclosed
EP-1976505-A1 COMBRETASTATIN DERIVATIVES AND RELATED THERAPEUTIC METHODS Abraxis BioScience, Inc. (US) 2008-10-08 EP disclosed
US-20080146586-A1 DICARBONYL DERIVATIVES AND METHODS OF USE ABRAXIS BIOSCIENCE (US) 2008-06-19 US disclosed
WO-2008064060-A2 DICARBONYL DERIVATIVES AND METHODS OF USE ABRAXIS BIOSCIENCE, INC. (US) 2008-05-29 WO disclosed
WO-2007059118-A1 COMBRETASTATIN DERIVATIVES AND RELATED THERAPEUTIC METHODS ABRAXIS BIOSCIENCE, INC. (US) 2007-05-24 WO disclosed
US-5650430-A Radicicol derivatives, their preparation and their anti-tumor activity SANKYO COMPANY, LIMITED (JP) 1997-07-22 US disclosed
US-5597846-A ESTERS OF RADICICOL SANKYO COMPANY, LIMITED (JP) 1997-01-28 US disclosed
WO-1991018905-A1 RADICICOL DERIVATIVES, THEIR PREPARATION AND THEIR ANTI-TUMOR ACTIVITY SANKYO COMPANY LIMITED (JP) 1991-12-12 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 (2 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-20080146586-A1 DICARBONYL DERIVATIVES AND METHODS OF USE AADAC, DCK, MLYCD OPRM1 4442/4885TSHR 4693/4885THRB 3776/4885
US-20100279963-A1 DICARBONYL DERIVATIVES AND METHODS OF USE AADAC, DCK, MLYCD OPRM1 4442/4885TSHR 4693/4885THRB 3776/4885

“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.