SCHEMBL26320453

SCHEMBL26320453

COc1ccc(CCOC(=O)OC[C@@H]2CC[C@H](c3ccc4c(N)ncnn34)O2)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ SLC6A2 P23975 3/20 0.34
▸ SLC6A4 P31645 3/20 0.34
▸ SLC6A3 Q01959 3/20 0.34
▸ PDE1B Q01064 3/20 0.34
▸ ADORA2A P29274 1/20 0.33
▸ ADORA2B P29275 1/20 0.33
▸ SMN1; SMN2 Q16637 2/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ NPC1 O15118 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ CHRM4 P08173 1/20 0.32
▸ CHRM5 P08912 1/20 0.32
▸ CHRM1 P11229 1/20 0.32
▸ CHRM3 P20309 1/20 0.32
▸ PDE2A O00408 2/20 0.32
▸ PIK3CD O00329 1/20 0.32

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
SCHEMBL26237796 0.84 CSNK2A2 (0.35) CYP3A4CYP2C19PDE2A
SCHEMBL26239647 0.84 DOT1L (0.36) SMN1; SMN2KDM4EKMT2ANPC1MAPT
SCHEMBL26239615 0.83 DOT1L (0.36) SMN1; SMN2KDM4EKMT2ANPC1MAPT
SCHEMBL26320701 0.81 DOT1L (0.34) —
SCHEMBL24606310 0.81 DOT1L (0.36) PIK3CD
SCHEMBL26320710 0.81 DOT1L (0.34) —
SCHEMBL24606280 0.80 DOT1L (0.35) —
SCHEMBL26027103 0.80 DOT1L (0.36) —
SCHEMBL24606262 0.80 DOT1L (0.36) —
SCHEMBL24606327 0.79 DOT1L (0.34) —

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-11780844-B2 Compounds and methods for treatment of viral infections GILEAD SCIENCES, INC. (US) 2023-10-10 — — US disclosed
US-20230279013-A1 COMPOUNDS AND METHODS FOR TREATMENT OF VIRAL INFECTIONS GILEAD SCIENCES, INC. 2023-09-07 — — 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 (2 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-11780844-B2 Compounds and methods for treatment of viral infections HAVCR2, EIF2AK2, OAT CYP3A4 1303/4885CYP2C19 3306/4885SLC6A2 2851/4885
US-20230279013-A1 COMPOUNDS AND METHODS FOR TREATMENT OF VIRAL INFECTIONS HAVCR2, EIF2AK2, OAT CYP3A4 1303/4885CYP2C19 3306/4885SLC6A2 2851/4885

“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.

Send feedback