SCHEMBL13913087

SCHEMBL13913087

C#CCN(CC#C)S(=O)(=O)c1ccc(C(=O)OC)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 6/20 0.48
CA9 Q16790 6/20 0.48
CA1 P00915 5/20 0.48
CA2 P00918 5/20 0.48
CA14 Q9ULX7 4/20 0.48
MAPT P10636 3/20 0.46
FBP1 P09467 1/20 0.46
RAB9A P51151 2/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
POLB P06746 1/20 0.44
HPGD P15428 2/20 0.44
TP53 P04637 1/20 0.44
CYP2C9 P11712 1/20 0.44
PSEN1 P49768 1/20 0.44
PSEN2 P49810 1/20 0.44
APH1B Q8WW43 1/20 0.44
NCSTN Q92542 1/20 0.44
APH1A Q96BI3 1/20 0.44
PSENEN Q9NZ42 1/20 0.44
GLA P06280 1/20 0.43

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
SCHEMBL11877545 0.79 CA9 (0.69) CA12CA9CA1CA2MAPT
SCHEMBL1082207 0.76 GLA (0.69) CA12CA9MAPTGLASMN1; SMN2
SCHEMBL65856 0.76 SMN1; SMN2 (0.64) CA12CA9CA1CA2CA14
SCHEMBL13923868 0.76 CA1 (0.50) CA12CA9CA1CA2CA14
SCHEMBL16342111 0.74 ALDH1A1 (0.50) CA12CA9CA1CA2CA14
SCHEMBL1169305 0.73 TP53 (0.70) MAPTPOLBTP53PSEN1PSEN2
SCHEMBL15180119 0.72 ALDH1A1 (0.44) CA12CA9CA1CA2CA14
SCHEMBL16795554 0.72 MAOB (0.49) CA12CA9CA1CA2CA14
SCHEMBL68518 0.71 POLB (0.74) CA12CA9CA1CA2CA14
SCHEMBL925696 0.71 CA1 (0.53) CA12CA9CA1CA2CA14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090069561-A1 CLICK CHEMISTRY ROUTE TO TRIAZOLE DENDRIMERS THE SCRIPPS RESEARCH INSTITUTE (US) 2009-03-12 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-20090069561-A1 CLICK CHEMISTRY ROUTE TO TRIAZOLE DENDRIMERS CROCC, JAK3, APOBEC3A CA12 3696/4885CA9 3672/4885CA1 3864/4885

“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.