SCHEMBL20906397

SCHEMBL20906397

CCC(C)C(NS(=O)(=O)C(F)(F)F)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.41
CA2 P00918 6/20 0.40
CA1 P00915 5/20 0.40
ENPEP Q07075 2/20 0.39
FPR2 P25090 3/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
ATM Q13315 1/20 0.36
MMP1 P03956 2/20 0.36
MMP2 P08253 2/20 0.36
MMP9 P14780 2/20 0.36
MMP13 P45452 2/20 0.36
MMP8 P22894 1/20 0.36
MMP3 P08254 1/20 0.35
MMP7 P09237 1/20 0.35
MME P08473 1/20 0.34
ACE P12821 1/20 0.34
CPA1 P15085 1/20 0.34
ACE2 Q9BYF1 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
SCHEMBL20906396 1.00 ALDH1A1 (0.46) ALDH1A1L3MBTL1CA2CA1ENPEP
SCHEMBL28005180 1.00 ALDH1A1 (0.46) ALDH1A1L3MBTL1CA2CA1ENPEP
SCHEMBL28004792 0.82 MMP2 (0.48) CA2CA1MMP1MMP2MMP9
SCHEMBL9240400 0.82 MMP2 (0.48) CA2CA1MMP1MMP2MMP9
SCHEMBL3154117 0.78 ALDH1A1 (0.52) ALDH1A1L3MBTL1CA2CA1ENPEP
SCHEMBL30356994 0.78 ALDH1A1 (0.52) ALDH1A1L3MBTL1CA2CA1ENPEP
SCHEMBL3154122 0.78 ALDH1A1 (0.52) ALDH1A1L3MBTL1CA2CA1ENPEP
SCHEMBL32676394 0.77 CA1 (0.37) ALDH1A1L3MBTL1CA2CA1MMP1
SCHEMBL10029316 0.75 EPHX1 (0.39) ALDH1A1L3MBTL1CA2CA1MEN1
SCHEMBL20906594 0.74 CA2 (0.43) CA2CA1MMP1MMP2MMP9

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-10266503-B1 Sulfoxide ligand metal catalyzed oxidation of olefins THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2019-04-23 US disclosed
CN-104326949-B A kind of alternative functionalized ion liquid of amino acid separation, preparation method and application thereof 浙江工商大学 2016-07-27 CN disclosed
CN-104326949-A Functionalized ionic liquid capable of selectively separating amino acids, preparation method and application thereof UNIV ZHEJIANG GONGSHANG 2015-02-04 CN 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-10266503-B1 Sulfoxide ligand metal catalyzed oxidation of olefins YAP1, ICOSLG, SPIN3 ALDH1A1 1012/4885L3MBTL1 3597/4885CA2 3802/4885

“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.