SCHEMBL21827488

SCHEMBL21827488

CCCCCCCCCCCCN(CCCN(CCCC)CCCC)C(=O)C(O)CC(N)=O

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CA12 O43570 3/20 0.40
CA1 P00915 3/20 0.40
CA9 Q16790 3/20 0.40
KDM5A P29375 3/20 0.39
PHF8 Q9UPP1 2/20 0.39
KDM4C Q9H3R0 1/20 0.39
THRA P10827 1/20 0.37
THRB P10828 1/20 0.37
GPR84 Q9NQS5 3/20 0.35
CA2 P00918 1/20 0.35
FFAR1 O14842 1/20 0.35
MMP1 P03956 1/20 0.34
MMP2 P08253 1/20 0.34
MMP3 P08254 1/20 0.34
MMP8 P22894 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
SCHEMBL28547305 0.82 CA12 (0.40) CA12CA1CA9KDM5APHF8
SCHEMBL28548289 0.81 S1PR2 (0.33) CA12CA1CA9THRATHRB
SCHEMBL21826822 0.78 ZDHHC20 (0.38) CA12CA1CA9KDM5APHF8
SCHEMBL8088720 0.77 GPR84 (0.36) GPR84FFAR1
SCHEMBL28551737 0.76 KDM5A (0.49) CA12CA1CA9KDM5APHF8
SCHEMBL7897145 0.75 CA2 (0.42) CA12CA1CA9GPR84CA2
SCHEMBL28545692 0.75 KDM5A (0.48) CA12CA1CA9KDM5APHF8
SCHEMBL8816793 0.75 GPR84 (0.45) CA12CA1CA9GPR84CA2
SCHEMBL29641946 0.75 KDM5A (0.53) CA12CA1CA9KDM5APHF8
SCHEMBL25509010 0.73 KDM5A (0.44) KDM5APHF8KDM4CTHRATHRB

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112639050-B Asymmetrically substituted diamido ammonium dicarboxylic acid salts and their use for antiagglomerating gas hydrates 科莱恩国际有限公司 2022-11-01 CN disclosed
EP-3864108-B1 UNSYMMETRICALLY SUBSTITUTED DICARBOXYLIC ACID DIAMIDO AMMONIUM SALTS AND THEIR USE FOR GAS HYDRATE ANTI-AGGLOMERATION CLARIANT INT LTD (CH) 2022-06-15 EP disclosed
US-11161804-B2 Unsymmetrically substituted dicarboxylic acid diamido ammonium salts and their use for gas hydrate anti-agglomeration CLARIANT INTERNATIONAL LTD. (CH) 2021-11-02 US disclosed
EP-3864108-A1 UNSYMMETRICALLY SUBSTITUTED DICARBOXYLIC ACID DIAMIDO AMMONIUM SALTS AND THEIR USE FOR GAS HYDRATE ANTI-AGGLOMERATION Clariant International Ltd (CH) 2021-08-18 EP disclosed
CN-112639050-A Asymmetrically substituted diamido ammonium dicarboxylic acid salts and their use for antiagglomerating gas hydrates 科莱恩国际有限公司 2021-04-09 CN disclosed
US-20200109107-A1 Unsymmetrically Substituted Dicarboxylic Acid Diamido Ammonium Salts And Their Use For Gas Hydrate Anti-Agglomeration CLARIANT INTERNATIONAL, LTD. (CH) 2020-04-09 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-20200109107-A1 Unsymmetrically Substituted Dicarboxylic Acid Diamido Ammonium Salts And Their Use For Gas Hydrate Anti-Agglomeration H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, SLC9A5, NUP205 CA12 141/4885CA1 40/4885CA9 93/4885
US-11161804-B2 Unsymmetrically substituted dicarboxylic acid diamido ammonium salts and their use for gas hydrate anti-agglomeration H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, SLC9A5, NUP205 CA12 138/4885CA1 40/4885CA9 94/4885

“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.