SCHEMBL22434818

SCHEMBL22434818

CC(C)C(=O)Nc1nc2c(ncn2[C@@H]2OC(CO)[C@@H](O)[C@H]2O)c(=O)[nH]1

nearest known ligand 0.71

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 1/20 0.64
▸ TAS1R3 Q7RTX0 1/20 0.63
▸ TAS1R1 Q7RTX1 1/20 0.63
▸ KDM4E B2RXH2 1/20 0.60
▸ PAX8 Q06710 1/20 0.56
▸ ADORA2A P29274 2/20 0.52
▸ ADORA2B P29275 2/20 0.52
▸ ADORA3 P0DMS8 1/20 0.51
▸ ADORA1 P30542 1/20 0.51

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
SCHEMBL22759956 1.00 HPGD (0.64) HPGDTAS1R3TAS1R1KDM4EPAX8
SCHEMBL19493330 1.00 HPGD (0.64) HPGDTAS1R3TAS1R1KDM4EPAX8
SCHEMBL12714694 1.00 HPGD (0.64) HPGDTAS1R3TAS1R1KDM4EPAX8
SCHEMBL15588761 1.00 HPGD (0.64) HPGDTAS1R3TAS1R1KDM4EPAX8
SCHEMBL7156480 1.00 HPGD (0.64) HPGDTAS1R3TAS1R1KDM4EPAX8
SCHEMBL235639 1.00 HPGD (0.64) HPGDTAS1R3TAS1R1KDM4EPAX8
SCHEMBL235638 1.00 HPGD (0.64) HPGDTAS1R3TAS1R1KDM4EPAX8
SCHEMBL19485507 1.00 HPGD (0.64) HPGDTAS1R3TAS1R1KDM4EPAX8
Water SCHEMBL29037307 0.99 HPGD (0.63) HPGDTAS1R3TAS1R1KDM4EPAX8
SCHEMBL23425454 0.94 KDM4E (0.59) HPGDTAS1R3TAS1R1KDM4EPAX8

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-20200291096-A1 BICYCLIC PEPTIDE LIGAND STING CONJUGATES AND USES THEREOF Bicyclerd Limited (GB) 2020-09-17 — — 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-20200291096-A1 BICYCLIC PEPTIDE LIGAND STING CONJUGATES AND USES THEREOF STING1, BID, VIP HPGD 3277/4885TAS1R3 490/4885TAS1R1 691/4885

“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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