SCHEMBL21101738

SCHEMBL21101738

COC(=O)CN(CCCC=O)S(=O)(=O)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.47
CA9 Q16790 2/20 0.47
ALDH1A1 P00352 5/20 0.46
KMT2A Q03164 4/20 0.46
BMP1 P13497 1/20 0.46
MAPK1 P28482 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
POLB P06746 2/20 0.44
HTT P42858 2/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA3 P07451 1/20 0.44
CA4 P22748 1/20 0.44
CA6 P23280 1/20 0.44
CA5A P35218 1/20 0.44
CA7 P43166 1/20 0.44
CA13 Q8N1Q1 1/20 0.44
CA14 Q9ULX7 1/20 0.44
CA5B Q9Y2D0 1/20 0.44
MAPT P10636 4/20 0.43

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
SCHEMBL4714570 0.81 MEN1 (0.43) ALDH1A1KMT2ATDP1POLBCA1
SCHEMBL29285442 0.80 ALDH1A1 (0.56) CA12CA9ALDH1A1KMT2ABMP1
SCHEMBL26247380 0.77 MAPT (0.61) CA12CA9ALDH1A1KMT2APOLB
SCHEMBL29174481 0.74 KMT2A (0.59) CA12CA9ALDH1A1KMT2ABMP1
SCHEMBL22492626 0.74 MAPT (0.52) CA12CA9ALDH1A1KMT2ABMP1
SCHEMBL11550968 0.73 TSHR (0.52) ALDH1A1KMT2ABMP1MAPK1MMP1
SCHEMBL31323609 0.73 NR1D1 (0.52) CA12CA9ALDH1A1KMT2ABMP1
SCHEMBL6608045 0.72 MAPT (0.61) ALDH1A1KMT2AMAPK1POLBHTT
SCHEMBL14228900 0.71 CA12 (0.62) CA12CA9ALDH1A1KMT2ABMP1
SCHEMBL4766364 0.70 MMP1 (0.48) ALDH1A1KMT2AHTTCA2MAPT

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-20220409589-A1 CHEMOKINE RECEPTOR BINDING HETEROCYCLIC COMPOUNDS WITH ENHANCED EFFICACY GENZYME CORP (US) 2022-12-29 US disclosed
US-10322111-B2 Chemokine receptor binding heterocyclic compounds with enhanced efficacy GENZYME CORPORATION (US) 2019-06-18 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-10322111-B2 Chemokine receptor binding heterocyclic compounds with enhanced efficacy CCR5, CXCR4, CXCR3 CA12 3755/4885CA9 4231/4885ALDH1A1 3305/4885
US-20220409589-A1 CHEMOKINE RECEPTOR BINDING HETEROCYCLIC COMPOUNDS WITH ENHANCED EFFICACY CCR5, CXCR4, CXCR3 CA12 3755/4885CA9 4231/4885ALDH1A1 3305/4885

“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.