SCHEMBL5847320

SCHEMBL5847320

COC(=O)[C@@H]1Cc2ccccc2N1S(C)(=O)=O

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.45
DRD4 P21917 2/20 0.45
POLB P06746 2/20 0.45
MMP2 P08253 2/20 0.44
ANPEP P15144 2/20 0.44
CYP19A1 P11511 1/20 0.44
LMNA P02545 3/20 0.41
KMT2A Q03164 2/20 0.41
TSHR P16473 2/20 0.40
MEN1 O00255 1/20 0.40
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
MAPK1 P28482 1/20 0.40
ALDH1A1 P00352 1/20 0.40
NOTUM Q6P988 1/20 0.40
CRHBP P24387 1/20 0.40
CRHR2 Q13324 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
SCHEMBL5847312 1.00 DRD2 (0.45) DRD2DRD4POLBMMP2ANPEP
SCHEMBL5847318 1.00 DRD2 (0.45) DRD2DRD4POLBMMP2ANPEP
SCHEMBL21351810 0.86 DRD2 (0.46) DRD2DRD4POLBMMP2ANPEP
SCHEMBL5847437 0.84 ACE (0.49)
SCHEMBL5847471 0.84 ACE (0.49)
SCHEMBL5847440 0.84 ACE (0.49)
SCHEMBL2519677 0.82 ESR1 (0.56) POLBMMP2ANPEPLMNAKMT2A
SCHEMBL2519672 0.82 ESR1 (0.56) POLBMMP2ANPEPLMNAKMT2A
SCHEMBL644486 0.81 ALDH1A1 (0.52) POLBMMP2LMNAKMT2ATSHR
SCHEMBL12474891 0.80 TP53 (0.43) LMNAMAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7034051-B2 Fused bicyclic carboxamide derivatives and methods of their use ADOLOR CORPORATION (US) 2006-04-25 US disclosed
WO-2005105814-A1 TETRACYCLIC INHIBITORS OF JANUS KINASES INCYTE CORPORATION (US) 2005-11-10 WO disclosed
WO-2005023799-A1 FUSED BICYCLIC CARBOXAMIDE DERIVATIVES AND METHODS OF THEIR USE ADOLOR CORPORATION (US) 2005-03-17 WO disclosed
US-20050054630-A1 Fused bicyclic carboxamide derivatives and methods of their use CUBIST PHARMACEUTICALS, INC. 2005-03-10 US 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-20050054630-A1 Fused bicyclic carboxamide derivatives and methods of their use PAICS, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, CPS1 DRD2 1588/4885DRD4 2188/4885POLB 852/4885

“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.