SCHEMBL20711281

SCHEMBL20711281

Nc1ccccc1/C=C/S(=O)(=O)NC[C@H]1O[C@@H](n2cnc3c(NC4CC4)ncnc32)[C@H](O)[C@@H]1O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 3/20 0.56
▸ ADORA2A P29274 3/20 0.56
▸ ADORA1 P30542 3/20 0.56
▸ ADORA3 P0DMS8 3/20 0.56
▸ PMP22 Q01453 2/20 0.56
▸ ADORA2B P29275 2/20 0.56
▸ GAA P10253 1/20 0.56
▸ HTT P42858 1/20 0.56
▸ SIGMAR1 Q99720 1/20 0.56
▸ SLC29A1 Q99808 1/20 0.56
▸ RXFP1 Q9HBX9 1/20 0.56
▸ MEN1 O00255 1/20 0.56
▸ KMT2A Q03164 1/20 0.56
▸ TP53 P04637 1/20 0.56
▸ NFKB1 P19838 1/20 0.56
▸ HIF1A Q16665 1/20 0.56
▸ SMN1; SMN2 Q16637 1/20 0.55
▸ TDP1 Q9NUW8 1/20 0.55
▸ CYP2C19 P33261 1/20 0.55
▸ THPO P40225 1/20 0.55

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
SCHEMBL20711334 0.90 RNMT (0.55) ADORA2AADORA2B
SCHEMBL20711215 0.89 DPP4 (0.58) ADORA2AADORA1ADORA3ADORA2BSLC29A1
SCHEMBL20711224 0.85 ADORA2A (0.50) ADORA2AADORA2B
SCHEMBL20711328 0.83 NNMT (0.59) ADORA2AADORA1ADORA3ADORA2BSLC29A1
SCHEMBL20711283 0.83 TSHR (0.55) TSHRADORA2AADORA1ADORA3PMP22
SCHEMBL22837892 0.82 TRPM2 (0.58) ADORA2AADORA1ADORA3ADORA2BSLC29A1
SCHEMBL20711233 0.82 TRPM2 (0.58) ADORA2AADORA1ADORA3ADORA2BSLC29A1
SCHEMBL12379181 0.82 TRPM2 (0.58) ADORA2AADORA1ADORA3ADORA2BSLC29A1
SCHEMBL22837893 0.82 TRPM2 (0.58) ADORA2AADORA1ADORA3ADORA2BSLC29A1
SCHEMBL20711221 0.81 DPP4 (0.56) —

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-10874686-B2 Anthranilyl-adenosinemonosulfamate analogs and uses thereof MEMORIAL SLOAN-KETTERING CANCER CENTER (US) 2020-12-29 — — US disclosed
US-20190038656-A1 ANTHRANILYL-ADENOSINEMONOSULFAMATE ANALOGS AND USES THEREOF Memorial Slooan-Kettering Cancer Center (US) 2019-02-07 — — 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-10874686-B2 Anthranilyl-adenosinemonosulfamate analogs and uses thereof ATIC, SLC35B2, ADORA1 TSHR 3317/4885ADORA2A 5/4885ADORA1 3/4885
US-20190038656-A1 ANTHRANILYL-ADENOSINEMONOSULFAMATE ANALOGS AND USES THEREOF ATIC, SLC35B2, ADORA1 TSHR 3317/4885ADORA2A 5/4885ADORA1 3/4885

“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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