SCHEMBL4841558

SCHEMBL4841558

Cc1sc2c(c1C(=O)O)c(=O)n(C)c(=O)n2C(C)C

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SLC16A1 P53985 2/20 0.43
ADORA2B P29275 1/20 0.35
HPD P32754 1/20 0.33
PKM P14618 1/20 0.32
KMT2A Q03164 1/20 0.31
ABCB11 O95342 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C9 P11712 1/20 0.31

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
SCHEMBL3829185 0.85 SLC16A1 (0.41) SLC16A1ADORA2BHPDABCB11CYP3A4
SCHEMBL3832025 0.82 ADORA2B (0.40) SLC16A1ADORA2BHPDKMT2A
SCHEMBL3828035 0.80 SLC16A1 (0.47) SLC16A1ABCB11CYP3A4CYP2C9
SCHEMBL5096911 0.77 SLC16A1 (0.44) SLC16A1ABCB11CYP3A4CYP2C9
SCHEMBL4840916 0.76 SLC16A1 (0.51) SLC16A1CYP3A4CYP2C9
SCHEMBL5106235 0.76 NOTUM (0.37) HPDKMT2A
SCHEMBL5096915 0.75 SLC16A1 (0.41) SLC16A1ABCB11CYP3A4CYP2C9
SCHEMBL3855826 0.74 POLB (0.31)
SCHEMBL5106763 0.74 SLC16A1 (0.46) SLC16A1KMT2AABCB11CYP3A4CYP2C9
SCHEMBL3834031 0.74 SLC16A1 (0.53) SLC16A1HPDKMT2AABCB11CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080221131-A1 THIENOPYRIMIDINEDIONES AND THEIR USE IN MODULATION OF AUTOIMMUNE DISEASE ASTRAZENECA AB (SE) 2008-09-11 US disclosed
US-7393854-B2 Thienopyrimidinedinones and their use in modulation of autoimmune disease ASTRAZENECA AB (SE) 2008-07-01 US disclosed
US-20060135539-A1 Thienopyridazinones and their use in modulation of autoimmune disease ASTRAZENECA AB (SE) 2006-06-22 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 (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-20080221131-A1 THIENOPYRIMIDINEDIONES AND THEIR USE IN MODULATION OF AUTOIMMUNE DISEASE TPMT, TYMP, TYMS SLC16A1 4627/4885ADORA2B 18/4885HPD 1348/4885
US-20060135539-A1 Thienopyridazinones and their use in modulation of autoimmune disease TBXA2R, PTGER2, TBXAS1 SLC16A1 4795/4885ADORA2B 15/4885HPD 966/4885

“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.