SCHEMBL2116137

SCHEMBL2116137

COc1ccc(C(c2ccccc2)(c2ccc(OC)cc2)C(O)[C@H]2O[C@@H](n3cnc4c(=O)[nH]c(N=CN(C)C)nc43)[C@H](O)[C@@H]2O)cc1

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TYMP P19971 4/20 0.47
IMPDH2 P12268 5/20 0.38
TAAR1 Q96RJ0 1/20 0.38
IMPDH1 P20839 2/20 0.38
HPGD P15428 2/20 0.38
ADORA2A P29274 2/20 0.37
ADORA2B P29275 1/20 0.37
HINT1 P49773 2/20 0.36
ADORA3 P0DMS8 1/20 0.35
ADORA1 P30542 1/20 0.35

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
SCHEMBL2116135 0.91 TYMP (0.38) TYMPIMPDH2TAAR1IMPDH1HPGD
SCHEMBL6747054 0.87 TYMP (0.40) TYMPIMPDH2TAAR1IMPDH1HPGD
SCHEMBL6243048 0.87 TYMP (0.40) TYMPIMPDH2TAAR1IMPDH1HPGD
SCHEMBL7100209 0.85 TYMP (0.54) TYMPTAAR1HPGDHINT1
SCHEMBL2115347 0.82 TAS1R3 (0.54) TYMPIMPDH2TAAR1IMPDH1HPGD
SCHEMBL441421 0.81 TYMP (0.48) TYMPIMPDH2TAAR1IMPDH1HPGD
SCHEMBL5908159 0.78 TYMP (0.57) TYMPIMPDH2IMPDH1HPGDHINT1
SCHEMBL5908158 0.78 TYMP (0.57) TYMPIMPDH2IMPDH1HPGDHINT1
SCHEMBL10904154 0.77 TAAR1 (0.57) TYMPTAAR1HPGDHINT1
SCHEMBL8602348 0.77 TYMP (0.48) TYMPTAAR1HPGDHINT1

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-8158770-B2 Content dependent inhibitors of cytidine deaminases and uses thereof UNIVERSITY OF ROCHESTER (US) 2012-04-17 US disclosed
US-20090099105-A1 Content dependent inhibitors of cytidine deaminases and uses thereof NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2009-04-16 US disclosed
WO-2005115410-A2 CONTEXT DEPENDENT INHIBITORS OF CYTIDINE DEAMINASES AND USES THEREOF UNIVERSITY OF ROCHESTER (US) 2005-12-08 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-20090099105-A1 Content dependent inhibitors of cytidine deaminases and uses thereof DCTD, CDA, ADA TYMP 22/4885IMPDH2 34/4885TAAR1 4388/4885

“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.