SCHEMBL5517404

SCHEMBL5517404

CCOc1cc(O)c(C(Nc2ccc(C#N)cc2)C(N)=O)cc1OCC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F10 P00742 4/20 0.41
F7 P08709 4/20 0.41
PRSS1 P07477 3/20 0.41
F3 P13726 3/20 0.41
PRSS2 P07478 2/20 0.41
PRSS3 P35030 2/20 0.41
MAPT P10636 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
ALOX12 P18054 1/20 0.40
CYP2C19 P33261 1/20 0.40
ALDH1A1 P00352 2/20 0.39
F2 P00734 3/20 0.39
IDO1 P14902 1/20 0.39
STK4 Q13043 1/20 0.39
TP53 P04637 2/20 0.38
TSHR P16473 2/20 0.38
LMNA P02545 1/20 0.38
TRPV4 Q9HBA0 1/20 0.38

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
SCHEMBL5517408 0.81 AGPAT2 (0.37) F7MAPTALDH1A1IDO1STK4
SCHEMBL5883084 0.80 F10 (0.43) F10F7PRSS1F3PRSS2
SCHEMBL5881816 0.79 F10 (0.37) F10F7PRSS1F3PRSS2
SCHEMBL5882837 0.78 MEN1 (0.45) F10F7PRSS1F3PRSS2
SCHEMBL5882497 0.76 F7 (0.49) F10F7PRSS1F3PRSS2
SCHEMBL5882603 0.76 GPR35 (0.41) F10F7PRSS1F3PRSS2
SCHEMBL5882260 0.76 F7 (0.58) F10F7PRSS1F3PRSS2
SCHEMBL5882965 0.76 F7 (0.56) F10F7PRSS1F3PRSS2
SCHEMBL5422452 0.75 F7 (0.51) F10F7PRSS1F3PRSS2
SCHEMBL5883745 0.74 LMNA (0.41) F10F7PRSS1F3PRSS2

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
US-20070037813-A1 Serine Protease Inhibitors GENENTECH, INC. (US) 2007-02-15 US disclosed
EP-1144373-B1 SERINE PROTEASE INHIBITORS GENENTECH INC (US) 2005-10-19 EP disclosed
US-20050186198-A1 Serine protease inhibitors GENENTECH, INC. 2005-08-25 US disclosed
US-6919369-B2 Controlling blood coagulation GENENTECH, INC. (US) 2005-07-19 US disclosed
US-20030212071-A1 Serine protease inhibitors GENENTECH, INC. 2003-11-13 US disclosed
US-6472393-B1 Serine protease inhibitors GENENTECH, INC. 2002-10-29 US disclosed
EP-1144373-A3 SERINE PROTEASE INHIBITORS Genentech, Inc. (US) 2002-01-02 EP disclosed
EP-1144373-A2 SERINE PROTEASE INHIBITORS Genentech, Inc. (US) 2001-10-17 EP disclosed
WO-2000041531-A2 SERINE PROTEASE INHIBITORS GENENTECH, INC. (US) 2000-07-20 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 (3 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-20030212071-A1 Serine protease inhibitors SERPINE1, SPINT2, TFPI F10 37/4885F7 22/4885PRSS1 9/4885
US-20070037813-A1 Serine Protease Inhibitors TFPI, SPINT2, SERPINE1 F10 37/4885F7 17/4885PRSS1 9/4885
US-20050186198-A1 Serine protease inhibitors TFPI, SPINT2, SERPINE1 F10 37/4885F7 17/4885PRSS1 9/4885

“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.