SCHEMBL4881324

SCHEMBL4881324

CC(=N\c1ccc(C(=O)O)cc1)/C(C)=N/c1ccc(C(=O)O)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 4/20 0.63
CA2 P00918 4/20 0.63
CA12 O43570 2/20 0.63
CA9 Q16790 2/20 0.63
TSHR P16473 2/20 0.55
TP53 P04637 1/20 0.55
TRPA1 O75762 1/20 0.54
NOS1 P29475 5/20 0.53
NOS3 P29474 2/20 0.52
ALDH1A1 P00352 2/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
MEN1 O00255 1/20 0.50
NPC1 O15118 1/20 0.50
POLB P06746 1/20 0.50
KMT2A Q03164 1/20 0.50
SRD5A2 P31213 2/20 0.48
CA3 P07451 1/20 0.46
TYR P14679 1/20 0.46
DRD1 P21728 1/20 0.46
CA4 P22748 1/20 0.46

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
SCHEMBL4881332 1.00 CA1 (0.63) CA1CA2CA12CA9TSHR
SCHEMBL16336171 0.79 TRPA1 (0.57) CA1CA2CA12CA9TSHR
SCHEMBL15055471 0.79 TRPA1 (0.57) CA1CA2CA12CA9TSHR
4-Guanidino-Benzoic Acid SCHEMBL1363882 0.77 CA12 (1.00) CA1CA2CA12CA9TSHR
Terephthalic Acid SCHEMBL123278 0.77 TSHR (0.80) CA1CA2CA12CA9TSHR
Terephthalic Acid SCHEMBL8209798 0.77 TSHR (0.80) CA1CA2CA12CA9TSHR
Terephthalic Acid SCHEMBL28358071 0.77 TSHR (0.80) CA1CA2CA12CA9TSHR
SCHEMBL1806941 0.76 TSHR (0.60) CA1CA2CA12CA9TSHR
SCHEMBL31415103 0.76 CA1 (0.73) CA1CA2CA12CA9TSHR
SCHEMBL18874949 0.76 MAPT (0.70) CA1CA2CA12CA9TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024137765-A1 TRANSITION-METAL CATALYST COMPOSITIONS AND METHODS FOR SEQUENCING BY SYNTHESIS ILLUMINA, INC. (US) 2024-06-27 WO disclosed
US-20080306315-A1 Metal-Organic Framework Catalysts and Their Use in Hydrocarbon Transformation UNIVERSITETET I OSLO (NO) 2008-12-11 US disclosed
EP-1909958-A2 METAL-ORGANIC FRAMEWORK CATALYSTS AND THEIR USE IN HYDROCARBON TRANSFORMATION Universitetet I Oslo (NO) 2008-04-16 EP disclosed
WO-2007007113-A2 METAL-ORGANIC FRAMEWORK CATALYSTS AND THEIR USE IN HYDROCARBON TRANSFORMATION UNIVERSITETET I OSLO (NO) 2007-01-18 WO 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-20080306315-A1 Metal-Organic Framework Catalysts and Their Use in Hydrocarbon Transformation POF1B, PMS2, IDH1 CA1 228/4885CA2 728/4885CA12 62/4885

“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.