SCHEMBL20711304

SCHEMBL20711304

Nc1ccccc1/C=C/S(=O)(=O)NC[C@@H]1CC[C@H](n2cnc3c(N)ncnc32)O1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BCHE P06276 1/20 0.44
▸ NFKB1 P19838 2/20 0.41
▸ BLM P54132 2/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ THPO P40225 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ TP53 P04637 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ APEX1 P27695 1/20 0.41
▸ PI4KA P42356 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ ADCY1 Q08828 1/20 0.41
▸ PI4K2B Q8TCG2 1/20 0.41
▸ PI4K2A Q9BTU6 1/20 0.41

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
SCHEMBL20711308 0.84 POLB (0.49) —
SCHEMBL20711329 0.81 ADORA3 (0.52) —
SCHEMBL21392957 0.80 BLM (0.55) BCHENFKB1BLMCYP1A2CYP3A4
SCHEMBL20711299 0.80 TRPM2 (0.48) —
SCHEMBL20711215 0.80 DPP4 (0.58) SMN1; SMN2MAPK1MEN1PI4KAKMT2A
SCHEMBL22837901 0.79 AHCY (0.43) —
SCHEMBL21637076 0.78 ADA (0.48) BCHENFKB1BLMCYP1A2CYP3A4
SCHEMBL19302891 0.77 BCHE (0.40) BCHENFKB1BLMCYP1A2CYP3A4
SCHEMBL21636983 0.77 NFKB1 (0.47) BCHENFKB1BLMCYP1A2CYP3A4
SCHEMBL19941795 0.74 ADA (0.51) BCHENFKB1BLMCYP1A2CYP3A4

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 BCHE 2332/4885NFKB1 1452/4885BLM 745/4885
US-20190038656-A1 ANTHRANILYL-ADENOSINEMONOSULFAMATE ANALOGS AND USES THEREOF ATIC, SLC35B2, ADORA1 BCHE 2332/4885NFKB1 1452/4885BLM 745/4885

“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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