SCHEMBL19996799

SCHEMBL19996799

CC(C)CCS(=O)(=O)NCC(C)C

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.36
CA7 P43166 2/20 0.36
CA9 Q16790 2/20 0.36
CA14 Q9ULX7 2/20 0.36
ALDH1A1 P00352 2/20 0.36
GAA P10253 1/20 0.34
HPGD P15428 1/20 0.34
ADH1B P00325 1/20 0.32
ADH1C P00326 1/20 0.32
ADH1A P07327 1/20 0.32
CYP2D6 P10635 1/20 0.31
CYP2C19 P33261 1/20 0.31
ATM Q13315 1/20 0.31
KCNA5 P22460 1/20 0.30

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
SCHEMBL17771175 0.86 ALDH1A1 (0.34) CA12CA7CA9CA14ALDH1A1
SCHEMBL19996803 0.81 KCNA5 (0.33) KCNA5
SCHEMBL12988956 0.81 GRIA4 (0.42) CA12CA7CA9CA14ALDH1A1
SCHEMBL22941135 0.79 CA12 (0.39) CA12CA7CA9CA14ALDH1A1
SCHEMBL14196188 0.79 CA12 (0.35) CA12CA7CA9CA14ALDH1A1
SCHEMBL13585681 0.78 PMP22 (0.50)
SCHEMBL1769662 0.78 PMP22 (0.50)
SCHEMBL26724824 0.77 CA1 (0.46) CA12CA7CA9CA14KCNA5
SCHEMBL12194930 0.77 RELA (0.39) CA12CA7CA9CA14ALDH1A1
SCHEMBL777392 0.77 CA12 (0.39) CA12CA7CA9CA14ALDH1A1

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 3 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
US-9926321-B2 Hsp90 inhibitors SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 2018-03-27 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 CA12 3083/4885CA7 1611/4885CA9 927/4885
US-20190038656-A1 ANTHRANILYL-ADENOSINEMONOSULFAMATE ANALOGS AND USES THEREOF ATIC, SLC35B2, ADORA1 CA12 3083/4885CA7 1611/4885CA9 927/4885

“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.