SCHEMBL2113227

SCHEMBL2113227

COc1ccc(C(c2ccccc2)(c2ccc(OC)cc2)C(O)[C@H]2O[C@@H](n3cnc4c(=O)[nH]c(NC(=O)COc5ccc(C(C)C)cc5)nc43)[C@H](O)[C@@H]2O)cc1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TYMP P19971 1/20 0.45
TAS1R3 Q7RTX0 1/20 0.45
TAS1R1 Q7RTX1 1/20 0.45
ADORA3 P0DMS8 9/20 0.43
ADORA1 P30542 9/20 0.43
ADORA2B P29275 8/20 0.43
TAAR1 Q96RJ0 2/20 0.43
NPC1 O15118 1/20 0.39
MAPT P10636 1/20 0.39
RAB9A P51151 1/20 0.39
ADORA2A P29274 2/20 0.38
IMPDH2 P12268 1/20 0.38
IMPDH1 P20839 1/20 0.38
HINT1 P49773 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
SCHEMBL6276019 0.91 TYMP (0.40) TYMPTAS1R3TAS1R1ADORA3ADORA1
SCHEMBL2113415 0.89 TAS1R3 (0.40) TYMPTAS1R3TAS1R1ADORA3ADORA1
SCHEMBL441421 0.88 TYMP (0.48) TYMPTAS1R3TAS1R1ADORA3ADORA1
SCHEMBL2115347 0.88 TAS1R3 (0.54) TYMPTAS1R3TAS1R1ADORA3ADORA1
SCHEMBL5963306 0.83 TYMP (0.44) TYMPTAS1R3TAS1R1ADORA3ADORA1
SCHEMBL9294603 0.83 TYMP (0.44) TYMPTAS1R3TAS1R1ADORA3ADORA1
SCHEMBL918913 0.81 TYMP (0.68) TYMPTAS1R3TAS1R1ADORA1IMPDH2
SCHEMBL918914 0.81 TYMP (0.68) TYMPTAS1R3TAS1R1ADORA1IMPDH2
SCHEMBL5963228 0.81 TYMP (0.43) TYMPTAS1R3TAS1R1ADORA3ADORA1
SCHEMBL7100209 0.81 TYMP (0.54) TYMPTAAR1HINT1

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 2 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

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 22/4885TAS1R3 4055/4885TAS1R1 4039/4885

“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.