SCHEMBL7072269

SCHEMBL7072269

Cc1nc(-c2cccc(CN(CCC#N)C(=O)Cc3ccc(-c4ccccc4S(N)(=O)=O)cc3)c2)no1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
F10 P00742 7/20 0.42
CA12 O43570 2/20 0.39
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
CA4 P22748 1/20 0.39
ALDH1A1 P00352 2/20 0.39
CA5A P35218 1/20 0.38
CA9 Q16790 1/20 0.38
CA5B Q9Y2D0 1/20 0.38
F2 P00734 6/20 0.38
PRSS1 P07477 6/20 0.38
PRSS2 P07478 6/20 0.38
PRSS3 P35030 6/20 0.38
PLG P00747 1/20 0.38
PLAT P00750 1/20 0.38
F7 P08709 1/20 0.38
TSHR P16473 1/20 0.37
LTB4R2 Q9NPC1 1/20 0.36
MAPT P10636 1/20 0.36

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
SCHEMBL7098768 0.88 ALDH1A1 (0.46) F10ALDH1A1F2PRSS1PRSS2
SCHEMBL7068364 0.84 LTB4R2 (0.43) F10ALDH1A1TSHRLTB4R2MAPT
SCHEMBL7075244 0.84 F10 (0.39) F10ALDH1A1F2PRSS1PRSS2
SCHEMBL7072844 0.80 LTB4R2 (0.40) ALDH1A1TSHRLTB4R2MAPT
SCHEMBL7089977 0.78 ALDH1A1 (0.38) F10ALDH1A1TSHR
SCHEMBL7072131 0.76 LTB4R2 (0.43) ALDH1A1TSHRLTB4R2MAPT
SCHEMBL7094641 0.73 F10 (0.39) F10F2PRSS1PRSS2PRSS3
SCHEMBL7072311 0.73 L3MBTL1 (0.43) ALDH1A1TSHRMAPT
SCHEMBL7061973 0.72 F10 (0.39) F10ALDH1A1F2PRSS1PRSS2
SCHEMBL7087198 0.72 RAB9A (0.42) TSHRMAPT

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-20030187037-A1 Acetamide derivatives and the use thereof as inhibitors of coagulation factors xa and viia MERCK-PATENT GMBH (DE) 2003-10-02 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-20030187037-A1 Acetamide derivatives and the use thereof as inhibitors of coagulation factors xa and viia F12, F11, PLAT F10 17/4885CA12 1051/4885CA1 576/4885

“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.