SCHEMBL3115960

SCHEMBL3115960

CCOC(=O)c1cn(-c2ccc(C(=O)OC)cc2OCC)nn1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.45
CA2 P00918 2/20 0.45
CA9 Q16790 2/20 0.45
CA12 O43570 1/20 0.45
CA4 P22748 1/20 0.43
CA7 P43166 1/20 0.43
NOTUM Q6P988 3/20 0.43
ESRRA P11474 2/20 0.42
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
HPGD P15428 1/20 0.42
SPR P35270 1/20 0.41
HSD17B2 P37059 1/20 0.41
GLA P06280 1/20 0.41
MAPK1 P28482 1/20 0.40
KDM4E B2RXH2 1/20 0.40
KMT2A Q03164 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
POLB P06746 1/20 0.39

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
SCHEMBL3111738 0.88 LMNA (0.41) CA1CA2CA9CA12CA4
SCHEMBL3120898 0.80 TSHR (0.50) NOTUMLMNAPOLB
SCHEMBL3110531 0.77 BRD4 (0.43) ALDH1A1LMNAMAPT
SCHEMBL3110741 0.76 BRD4 (0.51) NOTUMALDH1A1LMNASMN1; SMN2HPGD
SCHEMBL3107356 0.75 HPGD (0.46) ALDH1A1LMNASMN1; SMN2HPGDGLA
SCHEMBL25699486 0.75 SPR (0.40) CA1CA2CA9CA12CA4
SCHEMBL25049582 0.75 CYP1A2 (0.46) MAPK1POLBMAPT
SCHEMBL4093222 0.75 MAPT (0.47) NOTUMESRRAGLAKMT2AMAPT
SCHEMBL17666316 0.75 SMN1; SMN2 (0.53) CA1CA2CA9CA12CA4
SCHEMBL3114388 0.75 CA1 (0.42) CA1CA2CA9CA12CA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7803822-B2 Triazole derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-09-28 US disclosed
US-20090105253-A1 Triazole Derivative and Use Thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-04-23 US disclosed
EP-1867331-A1 TRIAZOLE DERIVATIVE AND THE USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2007-12-19 EP 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-20090105253-A1 Triazole Derivative and Use Thereof F2R, HRH4, F2RL3 CA1 3371/4885CA2 3067/4885CA9 3537/4885

“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.