SCHEMBL8326666

SCHEMBL8326666

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

nearest known ligand 0.60

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TYMP P19971 10/20 0.60
POLA1 P09884 1/20 0.45
POLB P06746 1/20 0.42
KDM4E B2RXH2 1/20 0.41
TAS1R3 Q7RTX0 1/20 0.39
TAS1R1 Q7RTX1 1/20 0.39
TYMS P04818 1/20 0.39
P2RY2 P41231 1/20 0.38
P2RY4 P51582 1/20 0.38
P2RY6 Q15077 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
SCHEMBL22983970 1.00 TYMP (0.60) TYMPPOLA1POLBKDM4ETAS1R3
SCHEMBL12714672 0.90 TYMP (0.59) TYMPPOLA1POLBKDM4ETAS1R3
SCHEMBL31556051 0.90 TYMP (0.59) TYMPPOLA1POLBKDM4ETAS1R3
SCHEMBL3821714 0.90 TYMP (0.59) TYMPPOLA1POLBKDM4ETAS1R3
SCHEMBL2281663 0.90 TYMP (0.59) TYMPPOLA1POLBKDM4ETAS1R3
SCHEMBL21828784 0.90 TYMP (0.59) TYMPPOLA1POLBKDM4ETAS1R3
SCHEMBL31342955 0.88 TYMP (0.61) TYMPPOLA1POLBKDM4ETAS1R3
SCHEMBL9238078 0.86 TYMP (0.58) TYMPPOLA1POLBKDM4ETAS1R3
SCHEMBL32677371 0.86 TYMP (0.58) TYMPPOLA1POLBKDM4ETAS1R3
SCHEMBL9017501 0.86 TYMP (0.58) TYMPPOLA1POLBKDM4ETAS1R3

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250115629-A1 CHIRAL SYNTHONS FOR THE SYNTHESIS OF CHIRAL PHOSPHOROTHIOATES BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2025-04-10 US disclosed
EP-4308580-A1 CHIRAL SYNTHONS FOR THE SYNTHESIS OF CHIRAL PHOSPHOROTHIOATES Boehringer Ingelheim International GmbH (DE) 2024-01-24 EP disclosed
CN-116981677-A Chiral synthons for synthesis of chiral phosphorothioates 勃林格殷格翰国际有限公司 2023-10-31 CN disclosed
WO-2022194924-A1 CHIRAL SYNTHONS FOR THE SYNTHESIS OF CHIRAL PHOSPHOROTHIOATES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2022-09-22 WO disclosed
EP-0542770-B1 RANDOM BIO-OLIGOMER LIBRARY, A METHOD OF SYNTHESIS THEREOF, AND A METHOD OF USE THEREOF UNIV ARIZONA (US) 1999-01-27 EP disclosed
US-4458066-A BOUND TO INORGANIC SUPPORT UNIVERSITY PATENTS, INC. (US) 1984-07-03 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-20250115629-A1 CHIRAL SYNTHONS FOR THE SYNTHESIS OF CHIRAL PHOSPHOROTHIOATES TYMP, RNGTT, TYMS TYMP 1/4885POLA1 60/4885POLB 80/4885

“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.