SCHEMBL6867539

SCHEMBL6867539

CC(C)(CCl)c1ccc(C(=O)O)cc1[N+](=O)[O-]

nearest known ligand 0.55

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CASP6 P55212 1/20 0.55
TSHR P16473 2/20 0.55
HCAR3 P49019 13/20 0.51
LMNA P02545 1/20 0.51
APEX1 P27695 1/20 0.48
POLB P06746 1/20 0.47

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
SCHEMBL3855174 0.83 CASP6 (0.64) CASP6TSHRHCAR3LMNAAPEX1
SCHEMBL29886656 0.77 CASP6 (0.64) CASP6TSHRHCAR3LMNAAPEX1
SCHEMBL1265098 0.77 CASP6 (0.64) CASP6TSHRHCAR3LMNAAPEX1
SCHEMBL20690493 0.74 CASP6 (0.64) CASP6TSHRHCAR3LMNAAPEX1
SCHEMBL2292095 0.74 CASP6 (0.64) CASP6TSHRHCAR3LMNAAPEX1
SCHEMBL31615734 0.74 CASP6 (0.58) CASP6TSHRHCAR3LMNA
4-Chloro-3-Nitrobenzoic Acid SCHEMBL10608947 0.73 VCAM1 (0.74) CASP6TSHRHCAR3LMNA
SCHEMBL8131816 0.73 CASP6 (0.54) CASP6TSHRHCAR3LMNAAPEX1
SCHEMBL27719472 0.73 TSHR (0.50) CASP6TSHRHCAR3LMNAPOLB
SCHEMBL504055 0.72 CASP6 (1.00) CASP6TSHRHCAR3LMNAAPEX1

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 5 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
EP-1242396-B1 NEW P2X 7 RECEPTOR ANTAGONISTS FOR USE IN THE TREATMENT OF INFLAMMATORY, IMMUNE OR CARDIOVASCULAR DISEASES ASTRAZENECA AB (SE) 2003-09-24 EP 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 CASP6 1945/4885TSHR 690/4885HCAR3 114/4885

“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.