SCHEMBL942080

SCHEMBL942080

Cc1ccc(S(=O)(=O)OCC2CCC(CNC(=O)OC(C)(C)C)CC2)cc1

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ACACB O00763 9/20 0.55
DRD2 P14416 2/20 0.46
ACACA Q13085 4/20 0.45
ALDH1A1 P00352 3/20 0.44
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
CYP2C9 P11712 1/20 0.44
PTGIR P43119 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
LMNA P02545 1/20 0.40
CKS1B P61024 1/20 0.40
SKP1 P63208 1/20 0.40
SKP2 Q13309 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
SCHEMBL942082 1.00 ACACB (0.55) ACACBDRD2ACACAALDH1A1KMT2A
SCHEMBL9885083 0.86 DRD2 (0.46) ACACBDRD2ALDH1A1KMT2AMEN1
SCHEMBL942085 0.86 DRD2 (0.46) ACACBDRD2ALDH1A1KMT2AMEN1
SCHEMBL942084 0.86 DRD2 (0.46) ACACBDRD2ALDH1A1KMT2AMEN1
SCHEMBL31270966 0.84 ACACB (0.43) ACACBALDH1A1KMT2AMEN1
SCHEMBL25318818 0.82 DRD2 (0.44) ACACBDRD2ALDH1A1KMT2AMEN1
SCHEMBL6642035 0.82 DRD2 (0.44) ACACBDRD2ALDH1A1KMT2AMEN1
SCHEMBL965092 0.82 DRD2 (0.44) ACACBDRD2ALDH1A1KMT2AMEN1
SCHEMBL24290423 0.81 ACACB (0.47) ACACBDRD2ACACAKMT2AMEN1
SCHEMBL27228950 0.80 MAOB (0.43) ACACBDRD2ALDH1A1KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8193206-B2 Pyrimidine compounds TAIGEN BIOTECHNOLOGY CO., LTD. (TW) 2012-06-05 US disclosed
US-8193206-B2 Pyrimidine compounds TAIGEN BIOTECHNOLOGY CO., LTD. (TW) 2012-06-05 US disclosed
US-20110009435-A1 HETERO BICYCLIC CARBOXAMIDE DERIVATIVES AND THEIR PHARMACEUTICAL USE AND COMPOSITIONS PFIZER, INC. (US) 2011-01-13 US disclosed
US-7589197-B2 Pyrimidine compounds TAIGEN BIOTECHNOLOGY (TW) 2009-09-15 US disclosed
US-20090143302-A1 PYRIMIDINE COMPOUNDS TAIGEN BIOTECHNOLOGY CO., LTD. (TW) 2009-06-04 US disclosed
US-20090143302-A1 PYRIMIDINE COMPOUNDS TAIGEN BIOTECHNOLOGY CO., LTD. (TW) 2009-06-04 US disclosed
WO-1997020823-A2 2-AMINO QUINAZOLINE DERIVATIVES AS NPY RECEPTOR ANTAGONISTS NOVARTIS AG (CH) 1997-06-12 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-20110009435-A1 HETERO BICYCLIC CARBOXAMIDE DERIVATIVES AND THEIR PHARMACEUTICAL USE AND COMPOSITIONS CNR2, CYP2C9, CYP2C8 ACACB 526/4885DRD2 2245/4885ACACA 247/4885
US-20090143302-A1 PYRIMIDINE COMPOUNDS TYMS, TYMP, HPRT1 ACACB 1493/4885DRD2 3922/4885ACACA 1937/4885

“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.