SCHEMBL16166407

SCHEMBL16166407

C=CCOC(=O)CNc1ccc(C(=N)N)cc1

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 9/20 0.46
F2 P00734 3/20 0.45
PRSS2 P07478 3/20 0.45
PRSS3 P35030 3/20 0.45
TMPRSS6 Q8IU80 3/20 0.45
ST14 Q9Y5Y6 3/20 0.45
ITGB3 P05106 2/20 0.44
ITGA2B P08514 2/20 0.44

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
SCHEMBL16166399 0.81 POLB (0.56) PRSS1F2PRSS2PRSS3TMPRSS6
SCHEMBL4394590 0.81 SMN1; SMN2 (0.42)
SCHEMBL15058154 0.80 F2 (0.54) PRSS1F2PRSS2PRSS3TMPRSS6
SCHEMBL7335880 0.80 POLB (0.51)
SCHEMBL30954 0.79 SMN1; SMN2 (0.50)
Hydrochloric Acid SCHEMBL11303697 0.78 SMN1; SMN2 (0.49)
SCHEMBL8597983 0.77 TGM2 (0.49)
SCHEMBL16166446 0.76 GRK2 (0.43)
SCHEMBL7148427 0.75 PRSS1 (0.61) PRSS1F2PRSS2PRSS3TMPRSS6
SCHEMBL2525700 0.74 PRSS1 (0.62) PRSS1F2PRSS2PRSS3TMPRSS6

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
EP-2978750-A2 \"SYNTHESIS OF DABIGATRAN\ USV Limited (IN) 2016-02-03 EP claimed
WO-2014167577-A2 \"SYNTHESIS OF DABIGATRAN\ USV LIMITED (IN) 2014-10-16 WO claimed
EP-2978750-B1 \"SYNTHESIS OF DABIGATRAN\ USV PRIVATE LTD (IN) 2020-03-04 EP disclosed
US-9688657-B2 Synthesis of dabigatran USV PRIVATE LIMITED (IN) 2017-06-27 US disclosed
US-20160060248-A1 SYNTHESIS OF DABIGATRAN USV PRIVATE LIMITED (IN) 2016-03-03 US disclosed
EP-2978750-A2 \"SYNTHESIS OF DABIGATRAN\ USV Limited (IN) 2016-02-03 EP disclosed
WO-2014167577-A2 \"SYNTHESIS OF DABIGATRAN\ USV LIMITED (IN) 2014-10-16 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-20160060248-A1 SYNTHESIS OF DABIGATRAN ESD, F2, PROC PRSS1 347/4885F2 2/4885PRSS2 1317/4885

“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.