SCHEMBL2113415

SCHEMBL2113415

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[C@@H]2O)cc1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 1/20 0.40
TAS1R1 Q7RTX1 1/20 0.40
KDM4E B2RXH2 1/20 0.40
TYMP P19971 2/20 0.38
POLA1 P09884 1/20 0.38
MAPT P10636 3/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
ADORA3 P0DMS8 3/20 0.36
ADORA2B P29275 3/20 0.36
ADORA1 P30542 3/20 0.36
TAAR1 Q96RJ0 1/20 0.36
ALDH1A1 P00352 3/20 0.34
POLB P06746 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
IMPDH2 P12268 1/20 0.33
IMPDH1 P20839 1/20 0.33

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
SCHEMBL2113227 0.89 TYMP (0.45) TAS1R3TAS1R1TYMPMAPTNPC1
SCHEMBL9790905 0.89 ALDH1A1 (0.44) TAS1R3TAS1R1KDM4ETYMPPOLA1
SCHEMBL7534659 0.88 KDM4E (0.49) TAS1R3TAS1R1KDM4ETYMPPOLA1
SCHEMBL2113125 0.88 KDM4E (0.49) TAS1R3TAS1R1KDM4ETYMPPOLA1
SCHEMBL16401712 0.87 TYMP (0.55) TAS1R3TAS1R1KDM4ETYMPPOLA1
SCHEMBL9801846 0.86 TYMP (0.41) TAS1R3TAS1R1KDM4ETYMPPOLA1
SCHEMBL6275071 0.85 KDM4E (0.38) TAS1R3TAS1R1KDM4ETYMPMAPT
SCHEMBL3003283 0.84 TYMP (0.41) TAS1R3TAS1R1KDM4ETYMPPOLA1
SCHEMBL6276019 0.83 TYMP (0.40) TAS1R3TAS1R1TYMPMAPTNPC1
SCHEMBL8574965 0.82 HPGD (0.46) TYMPTAAR1POLB

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 4039/4885KDM4E 1115/4885

“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.