SCHEMBL20711331

SCHEMBL20711331

CC(C)COS(=O)(=O)OC(=O)C(C)C

nearest known ligand 0.36

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.36
ALDH1A1 P00352 1/20 0.33
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA9 Q16790 1/20 0.31

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
SCHEMBL27782590 0.81 TSHR (0.38) TSHRALDH1A1CA1CA2CA9
SCHEMBL866236 0.79 CA14 (0.37)
SCHEMBL778096 0.77 CA1 (0.42) TSHRALDH1A1CA1CA2CA9
SCHEMBL28496313 0.75 TSHR (0.55) TSHRALDH1A1
Formaldehyde SCHEMBL27924107 0.72 CA1 (0.39) TSHRALDH1A1CA1CA2CA9
SCHEMBL10896761 0.70 CA1 (0.37) TSHRALDH1A1CA1CA2CA9
Methyl Alcohol SCHEMBL10924123 0.70 CA1 (0.33) TSHRALDH1A1CA1CA2CA9
SCHEMBL41548 0.69 TSHR (0.52) TSHRALDH1A1
SCHEMBL4611124 0.69 CA1 (0.41) ALDH1A1CA1CA2CA9
SCHEMBL964196 0.69 CA1 (0.36) ALDH1A1CA1CA2CA9

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 3317/4885ALDH1A1 625/4885CA1 2429/4885
US-20190038656-A1 ANTHRANILYL-ADENOSINEMONOSULFAMATE ANALOGS AND USES THEREOF ATIC, SLC35B2, ADORA1 TSHR 3317/4885ALDH1A1 625/4885CA1 2429/4885

“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.