SCHEMBL5489842

SCHEMBL5489842

CCC(N)(C(=O)O)S(=O)(=O)O

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.39
MEN1 O00255 2/20 0.39
CYP1A2 P05177 2/20 0.39
KMT2A Q03164 2/20 0.39
THRB P10828 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.37
GGT1 P19440 1/20 0.34
GRM2 Q14416 1/20 0.34
GRM3 Q14832 1/20 0.34
ARG1 P05089 1/20 0.33
ARG2 P78540 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.30
HIF1A Q16665 1/20 0.30
NOS2 P35228 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
SCHEMBL27561926 0.82 ALDH1A1 (0.36) ALDH1A1MEN1CYP1A2KMT2ATHRB
SCHEMBL12503924 0.81 MEN1 (0.39) ALDH1A1MEN1CYP1A2KMT2ATHRB
SCHEMBL28791221 0.79 FDPS (0.39) ALDH1A1MEN1CYP1A2KMT2ATHRB
SCHEMBL899527 0.76 ALDH1A1 (0.39) ALDH1A1MEN1CYP1A2KMT2ATHRB
SCHEMBL27363350 0.76 SMPD1 (0.43) ALDH1A1MEN1KMT2A
SCHEMBL28929632 0.74 ALDH1A1 (0.37) ALDH1A1L3MBTL1HIF1A
SCHEMBL29420199 0.74 ALDH1A1 (0.33) ALDH1A1
Sulfuric Acid SCHEMBL29720683 0.71 NOS2 (0.44) ALDH1A1MEN1CYP1A2KMT2ATHRB
SCHEMBL7272260 0.71 ALDH1A1 (0.33) ALDH1A1L3MBTL1
SCHEMBL6007753 0.70 GGT1 (0.33) ALDH1A1MEN1CYP1A2KMT2ATHRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101516361-A Soluble epoxide hydrolase inhibitors ARETE THERAPEUTICS INC (US) 2009-08-26 CN claimed
WO-2018005801-A2 NOVEL NON-SYSTEMIC TGR5 AGONISTS VENENUM BIODESIGN LLC (US) 2018-01-04 WO disclosed
CN-102712676-B There is the peptidomimetic that the template of CCR10 antagonistic activity is fixing 波利弗尔股份公司 2016-10-26 CN disclosed
CN-102844327-B Template-fixed peptidomimetics with CXCR7 modulatory activity 波利弗尔股份公司 2016-10-26 CN disclosed
CN-101516361-A Soluble epoxide hydrolase inhibitors ARETE THERAPEUTICS INC (US) 2009-08-26 CN disclosed
US-20070287706-A1 Certain substituted quinolones, compositions, and uses thereof AGRIUS GROUP, LLC. 2007-12-13 US disclosed
CN-1269722-A Method and composition for modulating responsiveness to corticosteroids BASF AG (DE) 2000-10-11 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-20070287706-A1 Certain substituted quinolones, compositions, and uses thereof ABCG2, ATP5ME, ATP5MG ALDH1A1 1055/4885MEN1 3178/4885CYP1A2 222/4885

“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.