SCHEMBL16166399

SCHEMBL16166399

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

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.56
PRSS1 P07477 11/20 0.50
ITGB3 P05106 2/20 0.50
ITGA2B P08514 2/20 0.50
F2 P00734 6/20 0.49
F10 P00742 2/20 0.49
PRSS2 P07478 4/20 0.49
PRSS3 P35030 4/20 0.49
TMPRSS6 Q8IU80 3/20 0.49
ST14 Q9Y5Y6 3/20 0.49
F7 P08709 1/20 0.48

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
SCHEMBL6380991 0.88 POLB (0.58) POLB
SCHEMBL4414766 0.83 F7 (0.57) PRSS1ITGB3ITGA2BF2F10
SCHEMBL7338663 0.83 TSHR (0.65) POLB
SCHEMBL11815924 0.83 POLB (0.60) POLB
SCHEMBL4035568 0.81 POLB (0.62) POLB
SCHEMBL16166407 0.81 PRSS1 (0.46) PRSS1ITGB3ITGA2BF2PRSS2
SCHEMBL219868 0.81 POLB (0.61) POLB
SCHEMBL4035087 0.80 POLB (0.65) POLB
Hydrochloric Acid SCHEMBL10499404 0.80 POLB (0.60) POLB
SCHEMBL1372423 0.79 POLB (0.63) POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-9688657-B2 Synthesis of dabigatran USV PRIVATE LIMITED (IN) 2017-06-27 US 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
US-20160060248-A1 SYNTHESIS OF DABIGATRAN USV PRIVATE LIMITED (IN) 2016-03-03 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 POLB 2992/4885PRSS1 347/4885ITGB3 91/4885

“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.