SCHEMBL2115345

SCHEMBL2115345

COc1ccccc1C(c1ccccc1)(c1ccccc1OC)C(O)[C@H]1O[C@@H](n2cnc3c(=O)[nH]c(NC(C)=O)nc32)[C@H](O)[C@@H]1O

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 1/20 0.52
TAS1R1 Q7RTX1 1/20 0.52
TAAR1 Q96RJ0 2/20 0.41
IMPDH2 P12268 4/20 0.40
IMPDH1 P20839 1/20 0.40
TYMP P19971 2/20 0.39
HINT1 P49773 2/20 0.39
ADORA3 P0DMS8 4/20 0.38
ADORA2A P29274 4/20 0.38
ADORA1 P30542 4/20 0.38
ADORA2B P29275 3/20 0.38
MEN1 O00255 1/20 0.36
TSHR P16473 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL441420 0.93 TAS1R3 (0.44) TAS1R3TAS1R1TAAR1IMPDH2IMPDH1
SCHEMBL2115347 0.91 TAS1R3 (0.54) TAS1R3TAS1R1TAAR1IMPDH2IMPDH1
SCHEMBL8669174 0.88 TAAR1 (0.51) TAAR1TYMPHINT1
SCHEMBL2115365 0.84 PRMT5 (0.46) ADORA3ADORA2AADORA2B
SCHEMBL441421 0.83 TYMP (0.48) TAS1R3TAS1R1TAAR1IMPDH2IMPDH1
SCHEMBL2116135 0.82 TYMP (0.38) TAAR1IMPDH2IMPDH1TYMPHINT1
SCHEMBL2113123 0.82 KDM4E (0.50) TAS1R3TAS1R1TAAR1TYMPHINT1
SCHEMBL9155236 0.81 TAS1R3 (0.36) TAS1R3TAS1R1TAAR1
SCHEMBL9116771 0.81 KDM4E (0.42) TAS1R3TAS1R1TAAR1TYMPHINT1
SCHEMBL441118 0.80 P2RY6 (0.39) ADORA3

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 TAS1R3 4055/4885TAS1R1 4039/4885TAAR1 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.