SCHEMBL264654

SCHEMBL264654

C[C@@]1(OCc2ccccc2)[C@H](OCc2ccccc2)[C@@H](COCc2ccccc2)O[C@H]1c1coc2c(=O)[nH]cnc12

nearest known ligand 0.32

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TACR2 P21452 2/20 0.32
LMNA P02545 1/20 0.31
NT5E P21589 1/20 0.31
HTR1A P08908 1/20 0.31
BCHE P06276 1/20 0.30
ACHE P22303 1/20 0.30
IP6K1 Q92551 1/20 0.30

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
SCHEMBL11997785 0.83 IP6K1 (0.31) IP6K1
SCHEMBL264531 0.83 BCHE (0.34) NT5EHTR1ABCHE
SCHEMBL3365162 0.83 HSPA5 (0.38) NT5EHTR1A
SCHEMBL12261139 0.81 IP6K1 (0.33) TACR2LMNANT5EHTR1AIP6K1
SCHEMBL259615 0.81 RAF1 (0.38) TACR2NT5EBCHE
SCHEMBL264649 0.79 HTR1A (0.42) TACR2NT5EHTR1ABCHEACHE
SCHEMBL22579768 0.77 TACR2 (0.43) TACR2NT5EHTR1ABCHEACHE
SCHEMBL12365715 0.75 HTR1A (0.33) TACR2LMNANT5EHTR1ABCHE
SCHEMBL12261141 0.74 HTR1A (0.34) HTR1A
SCHEMBL260030 0.74 NT5E (0.35) TACR2NT5EBCHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8133870-B2 Therapeutic furopyrimidines and thienopyrimidines BIOCRYST PHARMACEUTICALS, INC. (US) 2012-03-13 US disclosed
US-20080300200-A1 Therapeutic Furopyrimidines and Thienopyrimidines BIOCRYST PHARMACEUTICALS, INC. (US) 2008-12-04 US disclosed
US-7429571-B2 Therapeutic furopyrimidines and thienopyrimidines BIOCRYST PHARMACEUTICALS, INC. (US) 2008-09-30 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-20080300200-A1 Therapeutic Furopyrimidines and Thienopyrimidines DPYD, TYMP, TYMS TACR2 4788/4885LMNA 4216/4885NT5E 170/4885

“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.