SCHEMBL21702539

SCHEMBL21702539

BOCN(C)CCN(C)C(=O)OCc1ccc(N)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PRSS1 P07477 1/20 0.41
▸ TPSAB1 Q15661 1/20 0.41
▸ HDAC1 Q13547 1/20 0.37
▸ PHLPP2 Q6ZVD8 1/20 0.37
▸ F13A1 P00488 1/20 0.35
▸ TGM2 P21980 1/20 0.35
▸ TGM1 P22735 1/20 0.35
▸ TSHR P16473 2/20 0.33
▸ MAOA P21397 2/20 0.33
▸ CYP2D6 P10635 2/20 0.33
▸ HTR3A P46098 1/20 0.33
▸ HRH3 Q9Y5N1 1/20 0.33
▸ ALDH1A1 P00352 3/20 0.32
▸ KDM4E B2RXH2 2/20 0.32
▸ HPGD P15428 2/20 0.32
▸ GAA P10253 2/20 0.32
▸ NPC1 O15118 1/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ HSD17B10 Q99714 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
SCHEMBL22423720 0.86 PRSS1 (0.45) PRSS1TPSAB1HDAC1PHLPP2F13A1
SCHEMBL25567572 0.83 PHLPP2 (0.49) PRSS1TPSAB1HDAC1PHLPP2F13A1
SCHEMBL25570107 0.81 PRSS1 (0.43) PRSS1TPSAB1HDAC1PHLPP2F13A1
SCHEMBL25567568 0.81 PRSS1 (0.43) PRSS1TPSAB1HDAC1PHLPP2F13A1
SCHEMBL25686449 0.81 PRSS1 (0.45) PRSS1TPSAB1HDAC1PHLPP2F13A1
SCHEMBL26560436 0.80 PRSS1 (0.47) PRSS1TPSAB1HDAC1PHLPP2F13A1
SCHEMBL25124090 0.77 TPSAB1 (0.42) PRSS1TPSAB1HDAC1PHLPP2F13A1
SCHEMBL21896174 0.77 PRSS1 (0.49) PRSS1TPSAB1PHLPP2TSHRMAOA
SCHEMBL20630435 0.75 PRSS1 (0.53) PRSS1TPSAB1HDAC1PHLPP2MAOA
SCHEMBL26540306 0.74 PRSS1 (0.44) PRSS1TPSAB1HDAC1PHLPP2F13A1

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-10711003-B2 Toll-like receptor 7 (TLR7) agonists having a heterobiaryl moiety, conjugates thereof, and methods and uses therefor BRISTOL-MYERS SQUIBB COMPANY (US) 2020-07-14 — — US disclosed
US-20200048254-A1 TOLL-LIKE RECEPTOR 7 (TLR7) AGONISTS HAVING A HETEROBIARYL MOIETY, CONJUGATES THEREOF, AND METHODS AND USES THEREFOR BRISTOL-MYERS SQUIBB COMPANY 2020-02-13 — — 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-10711003-B2 Toll-like receptor 7 (TLR7) agonists having a heterobiaryl moiety, conjugates thereof, and methods and uses therefor TLR7, TLR9, TLR1 PRSS1 3242/4885TPSAB1 621/4885HDAC1 2158/4885
US-20200048254-A1 TOLL-LIKE RECEPTOR 7 (TLR7) AGONISTS HAVING A HETEROBIARYL MOIETY, CONJUGATES THEREOF, AND METHODS AND USES THEREFOR TLR7, TLR9, TLR1 PRSS1 3242/4885TPSAB1 621/4885HDAC1 2158/4885

“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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