SCHEMBL6860360

SCHEMBL6860360

CC(CF)c1ccc(C(=O)O)cc1S(C)(=O)=O

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 2/20 0.47
SLC9A2 Q9UBY0 1/20 0.47
NPSR1 Q6W5P4 1/20 0.45
KMT2A Q03164 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
KDM4E B2RXH2 1/20 0.42
ACE2 Q9BYF1 4/20 0.42
CDC25B P30305 1/20 0.41
PTK2B Q14289 1/20 0.40
PKM P14618 1/20 0.39
MAPT P10636 1/20 0.39
GRM1 Q13255 2/20 0.38
TTR P02766 1/20 0.38
MEN1 O00255 1/20 0.38
CYP1A2 P05177 1/20 0.38
TDP1 Q9NUW8 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
SCHEMBL3968070 0.83 SLC9A1 (0.64) SLC9A1SLC9A2NPSR1KMT2ASMN1; SMN2
SCHEMBL29070079 0.81 SLC9A1 (0.48) SLC9A1SLC9A2NPSR1KMT2ASMN1; SMN2
SCHEMBL27371650 0.73 SLC9A1 (0.47) SLC9A1SLC9A2NPSR1KMT2ASMN1; SMN2
SCHEMBL5405584 0.73 CDC25B (0.53) NPSR1KMT2ASMN1; SMN2KDM4ECDC25B
SCHEMBL2593426 0.73 PTK2B (0.58) NPSR1KMT2ASMN1; SMN2CDC25BPTK2B
SCHEMBL9018714 0.72 PKM (0.50) NPSR1KMT2ASMN1; SMN2KDM4ECDC25B
SCHEMBL8816549 0.71 SMN1; SMN2 (0.50) SLC9A1SLC9A2KMT2ASMN1; SMN2KDM4E
SCHEMBL6295085 0.71 KMT2A (0.49) NPSR1KMT2ASMN1; SMN2KDM4EACE2
SCHEMBL31401059 0.71 SMN1; SMN2 (0.59) KMT2ASMN1; SMN2CDC25BPKMMAPT
SCHEMBL6293695 0.71 SMN1; SMN2 (0.59) KMT2ASMN1; SMN2CDC25BPKMMAPT

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-6812226-B2 FOR THERAPY OF RHEUMATOID ARTHRITIS, EFFECTING IMMUNOSUPPRESSION ASTRAZENECA AB (SE) 2004-11-02 US disclosed
US-20030040513-A1 P2x7 receptor antagonists for use in the treatment of inflammatory, immune or cardiovascular diseases ASTRAZENECA AB (SE) 2003-02-27 US disclosed
EP-1242396-A1 NEW P2X 7 RECEPTOR ANTAGONISTS FOR USE IN THE TREATMENT OF INFLAMMATORY, IMMUNE OR CARDIOVASCULAR DISEASES AstraZeneca AB (SE) 2002-09-25 EP disclosed
WO-2001044213-A1 NEW P2X7 RECEPTOR ANTAGONISTS FOR USE IN THE TREATMENT OF INFLAMMATORY, IMMUNE OR CARDIOVASCULAR DISEASES ASTRAZENECA AB (SE) 2001-06-21 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-20030040513-A1 P2x7 receptor antagonists for use in the treatment of inflammatory, immune or cardiovascular diseases P2RX1, P2RX2, P2RX3 SLC9A1 709/4885SLC9A2 968/4885NPSR1 84/4885

“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.