SCHEMBL18858985

SCHEMBL18858985

Cc1ccc(S(=O)(=O)OCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCN=[N+]=[N-])cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.42
CA12 O43570 2/20 0.41
CA1 P00915 2/20 0.41
CA9 Q16790 2/20 0.41
ABCG2 Q9UNQ0 1/20 0.38
MMP2 P08253 3/20 0.37
MMP9 P14780 3/20 0.37
MMP8 P22894 3/20 0.37
MMP13 P45452 3/20 0.37
STAT3 P40763 1/20 0.36
GAA P10253 1/20 0.35
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
VDR P11473 1/20 0.34
LMNA P02545 1/20 0.34
HSP90AA1 P07900 1/20 0.34
MAPT P10636 1/20 0.34
PKM P14618 1/20 0.34
XBP1 P17861 1/20 0.34

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
SCHEMBL16898488 1.00 ALDH1A1 (0.42) ALDH1A1CA12CA1CA9ABCG2
SCHEMBL27189795 1.00 ALDH1A1 (0.42) ALDH1A1CA12CA1CA9ABCG2
SCHEMBL13764444 1.00 ALDH1A1 (0.42) ALDH1A1CA12CA1CA9ABCG2
SCHEMBL16898408 1.00 ALDH1A1 (0.42) ALDH1A1CA12CA1CA9ABCG2
SCHEMBL14845475 1.00 ALDH1A1 (0.42) ALDH1A1CA12CA1CA9ABCG2
SCHEMBL31395440 1.00 ALDH1A1 (0.42) ALDH1A1CA12CA1CA9ABCG2
SCHEMBL16898565 1.00 ALDH1A1 (0.42) ALDH1A1CA12CA1CA9ABCG2
SCHEMBL16898333 1.00 ALDH1A1 (0.42) ALDH1A1CA12CA1CA9ABCG2
SCHEMBL13497897 1.00 ALDH1A1 (0.42) ALDH1A1CA12CA1CA9ABCG2
SCHEMBL31145779 0.96 ALDH1A1 (0.39) ALDH1A1CA12CA1CA9ABCG2

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
CN-118440180-A Fluorinated albumin and synthesis method and application thereof 中国科学院精密测量科学与技术创新研究院 2024-08-06 CN disclosed
US-20170137389-A1 LINKER MOLECULE FOR MULTIPLEX RECOGNITION BY ATOMIC FORCE MICROSCOPY (AFM) NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2017-05-18 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 (1 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-20170137389-A1 LINKER MOLECULE FOR MULTIPLEX RECOGNITION BY ATOMIC FORCE MICROSCOPY (AFM) EPCAM, ILK, DYNLL2 ALDH1A1 4160/4885CA12 781/4885CA1 1060/4885

“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.