SCHEMBL24409582

SCHEMBL24409582

NCCCCCNP(=O)(O)OP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(=O)[nH]c(N)nc32)C(O)C1O

nearest known ligand 0.75

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ TGM2 P21980 1/20 0.75
▸ KRAS P01116 10/20 0.69
▸ NT5E P21589 1/20 0.64
▸ FUT5 Q11128 1/20 0.64
▸ P2RX3 P56373 1/20 0.59
▸ P2RY2 P41231 1/20 0.59
▸ P2RY4 P51582 1/20 0.59
▸ P2RY6 Q15077 1/20 0.59
▸ DCPS Q96C86 1/20 0.56

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
SCHEMBL13419012 1.00 TGM2 (0.75) TGM2KRASNT5EFUT5P2RX3
SCHEMBL12513695 0.94 TGM2 (0.80) TGM2KRASNT5EFUT5P2RX3
SCHEMBL21742688 0.93 TGM2 (0.81) TGM2KRASNT5EFUT5P2RX3
SCHEMBL29429843 0.88 TGM2 (0.85) TGM2KRASNT5EFUT5P2RX3
SCHEMBL21067722 0.88 TGM2 (0.85) TGM2KRASNT5EFUT5P2RX3
SCHEMBL18769114 0.88 TGM2 (0.85) TGM2KRASNT5EFUT5P2RX3
SCHEMBL851357 0.88 TGM2 (0.85) TGM2KRASNT5EFUT5P2RX3
SCHEMBL21742683 0.88 NT5E (0.74) TGM2KRASNT5EFUT5
SCHEMBL24864698 0.87 POLB (0.65) TGM2KRASNT5EFUT5P2RY2
SCHEMBL24409555 0.87 TGM2 (0.83) TGM2KRASNT5EFUT5P2RX3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220144860-A1 FLUORESCENT GTP ANALOGUES AND USE CISBIO BIOASSAYS (FR) 2022-05-12 — — 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-20220144860-A1 FLUORESCENT GTP ANALOGUES AND USE GNAI3, GNAQ, GNB1 TGM2 140/4885KRAS 9/4885NT5E 344/4885

“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.

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