SCHEMBL13301431

SCHEMBL13301431

C#CCSc1ccc2ccccc2c1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ANPEP P15144 1/20 0.46
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA4 P22748 1/20 0.44
CA9 Q16790 1/20 0.44
MAP2K2 P36507 1/20 0.42
MAP2K1 Q02750 1/20 0.42
BACE1 P56817 7/20 0.41
PYCR1 P32322 1/20 0.41
MAPT P10636 2/20 0.40
RAB9A P51151 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
LMNA P02545 1/20 0.39
STAT3 P40763 1/20 0.39
CNR2 P34972 1/20 0.39
ALOX15 P16050 1/20 0.38
TSHR P16473 1/20 0.38
HSD17B10 Q99714 1/20 0.38

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
SCHEMBL30363232 0.92 CA12 (0.50) ANPEPCA12CA1CA2CA4
SCHEMBL10400052 0.80 MAP2K2 (0.50) ANPEPCA1CA2MAP2K2MAP2K1
SCHEMBL5385172 0.80 ANPEP (0.50) ANPEPMAP2K2MAP2K1BACE1MAPT
SCHEMBL28251159 0.76 ANPEP (0.53) ANPEPCA1CA2CA9MAP2K2
SCHEMBL29738643 0.76 BACE1 (0.56) ANPEPMAP2K2MAP2K1BACE1MAPT
SCHEMBL9770073 0.76 BACE1 (0.56) ANPEPMAP2K2MAP2K1BACE1MAPT
SCHEMBL726899 0.76 ALDH1A1 (0.52) CA12CA1CA2CA4CA9
SCHEMBL24132094 0.73 NQO2 (0.47) CA12CA1CA2CA4CA9
SCHEMBL5282055 0.72 CYP2A6 (0.50) ANPEPMAP2K2MAP2K1BACE1LMNA
SCHEMBL7376129 0.72 ANPEP (0.50) ANPEPMAP2K2MAP2K1BACE1LMNA

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
US-20100143980-A1 SYNTHESIS OF NOVEL XYLOSIDES AND POTENTIAL USES THEREOF BALAGURUNATHAN KUBERAN 2010-06-10 US disclosed
US-20100143980-A1 SYNTHESIS OF NOVEL XYLOSIDES AND POTENTIAL USES THEREOF BALAGURUNATHAN KUBERAN 2010-06-10 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-20100143980-A1 SYNTHESIS OF NOVEL XYLOSIDES AND POTENTIAL USES THEREOF CSGALNACT1, ST3GAL3, FUT6 ANPEP 433/4885CA12 872/4885CA1 3096/4885

“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.