SCHEMBL4841907

SCHEMBL4841907

Cc1nn(-c2nccs2)c(C)c1Cc1sc2c(c1C(=O)N1C[C@H](O)CO1)c(=O)n(C)c(=O)n2C(C)C

nearest known ligand 0.53

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SLC16A1 P53985 18/20 0.53
CYP2C9 P11712 14/20 0.53
CYP3A4 P08684 9/20 0.53
SLC16A3 O15427 1/20 0.53
SLC16A7 O60669 1/20 0.35
P2RX7 Q99572 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
SCHEMBL4838695 0.89 SLC16A1 (0.55) SLC16A1CYP2C9CYP3A4SLC16A3SLC16A7
SCHEMBL4833249 0.87 SLC16A1 (0.53) SLC16A1CYP2C9CYP3A4SLC16A3SLC16A7
SCHEMBL3827911 0.80 SLC16A1 (0.80) SLC16A1CYP2C9CYP3A4SLC16A3SLC16A7
SCHEMBL3827907 0.80 SLC16A1 (0.80) SLC16A1CYP2C9CYP3A4SLC16A3SLC16A7
SCHEMBL4833502 0.78 SLC16A1 (0.43) SLC16A1CYP2C9CYP3A4SLC16A3SLC16A7
SCHEMBL3827785 0.77 SLC16A1 (0.70) SLC16A1CYP2C9CYP3A4SLC16A3SLC16A7
SCHEMBL3826971 0.77 SLC16A1 (0.62) SLC16A1CYP2C9CYP3A4SLC16A3SLC16A7
SCHEMBL3826969 0.77 SLC16A1 (0.62) SLC16A1CYP2C9CYP3A4SLC16A3SLC16A7
SCHEMBL4838442 0.77 SLC16A1 (0.70) SLC16A1CYP2C9CYP3A4SLC16A3SLC16A7
SCHEMBL4844053 0.76 SLC16A1 (0.42) SLC16A1CYP2C9CYP3A4SLC16A3SLC16A7

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 9 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 claimed
US-7393854-B2 Thienopyrimidinedinones and their use in modulation of autoimmune disease ASTRAZENECA AB (SE) 2008-07-01 US claimed
US-20060135539-A1 Thienopyridazinones and their use in modulation of autoimmune disease ASTRAZENECA AB (SE) 2006-06-22 US claimed
US-20080221131-A1 THIENOPYRIMIDINEDIONES AND THEIR USE IN MODULATION OF AUTOIMMUNE DISEASE ASTRAZENECA AB (SE) 2008-09-11 US disclosed
US-20080221131-A1 THIENOPYRIMIDINEDIONES AND THEIR USE IN MODULATION OF AUTOIMMUNE DISEASE ASTRAZENECA AB (SE) 2008-09-11 US disclosed
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-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 4627/4885CYP2C9 374/4885CYP3A4 449/4885
US-20060135539-A1 Thienopyridazinones and their use in modulation of autoimmune disease TBXA2R, PTGER2, TBXAS1 SLC16A1 4795/4885CYP2C9 78/4885CYP3A4 86/4885

“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.