SCHEMBL913679

SCHEMBL913679

O=c1oc(-c2ccccc2OC(F)(F)F)nc2cc(F)c(F)cc12

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CTSG P08311 6/20 0.51
KLK7 P49862 6/20 0.51
KLK14 Q9P0G3 6/20 0.51
KLK5 Q9Y337 6/20 0.51
PRSS1 P07477 1/20 0.51
C1R P00736 8/20 0.50
ELANE P08246 1/20 0.50
APEX1 P27695 1/20 0.50
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
CTRC Q99895 2/20 0.46
F7 P08709 2/20 0.45
F3 P13726 2/20 0.45
F10 P00742 1/20 0.45

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
SCHEMBL914380 0.85 C1R (0.70) CTSGKLK7KLK14KLK5PRSS1
SCHEMBL914103 0.84 C1R (0.65) CTSGKLK7KLK14KLK5PRSS1
SCHEMBL915773 0.82 C1R (0.73) CTSGKLK7KLK14KLK5PRSS1
SCHEMBL913737 0.77 C1R (0.57) CTSGKLK7KLK14KLK5PRSS1
SCHEMBL4850801 0.74 ELANE (0.66) C1RELANEAPEX1MEN1KMT2A
SCHEMBL914180 0.73 APEX1 (0.56) CTSGKLK7KLK14KLK5PRSS1
SCHEMBL2665683 0.73 MAPT (0.47) C1RMEN1KMT2A
SCHEMBL914283 0.72 MEN1 (0.75) CTSGKLK7KLK14KLK5PRSS1
SCHEMBL916119 0.72 APEX1 (0.55) CTSGKLK7KLK14KLK5PRSS1
SCHEMBL17554028 0.72 C1R (0.62) PRSS1C1RELANEAPEX1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6180625-B1 MODULATING AND NORMALIZING AN IMPAIRED HAEMOSTATIC BALANCE IN A MAMMAL, WHICH METHOD COMPRISES ADMINISTERING AN EFFECTIVE AMOUNT OF NOVEL BENZOXAZIN DERIVATIVES; ANTICOAGULANTS NOVO NORDISK A/S (DK) 2001-01-30 US claimed
US-7872052-B2 Use of heterocyclic compounds as SCCE inhibitors AREXIS AB (SE) 2011-01-18 US disclosed
US-20060258651-A1 Use of heterocyclic compounds as scce inhibitors QUANTUM LTO HOLDINGS, LLC 2006-11-16 US disclosed
US-6180625-B1 MODULATING AND NORMALIZING AN IMPAIRED HAEMOSTATIC BALANCE IN A MAMMAL, WHICH METHOD COMPRISES ADMINISTERING AN EFFECTIVE AMOUNT OF NOVEL BENZOXAZIN DERIVATIVES; ANTICOAGULANTS NOVO NORDISK A/S (DK) 2001-01-30 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-20060258651-A1 Use of heterocyclic compounds as scce inhibitors RCE1, CTSE, SPINT2 CTSG 102/4885KLK7 590/4885KLK14 385/4885

“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.