SCHEMBL2106189

SCHEMBL2106189

CC(C)(C)OC(=O)NCC1CCC(C(=O)NC(Cc2ccccc2)c2cncc(-c3ccccc3)c2)CC1

nearest known ligand 0.69

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
F11 P03951 12/20 0.69
ATM Q13315 2/20 0.56
KMT2A Q03164 2/20 0.56
MEN1 O00255 1/20 0.55
KLKB1 P03952 1/20 0.48
ACACB O00763 3/20 0.47
ACACA Q13085 2/20 0.47

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
SCHEMBL2106191 1.00 F11 (0.69) F11ATMKMT2AMEN1KLKB1
SCHEMBL2107344 0.92 F11 (0.77) F11ATMKMT2AMEN1KLKB1
SCHEMBL2107347 0.92 F11 (0.77) F11ATMKMT2AMEN1KLKB1
SCHEMBL2106686 0.90 F11 (0.55) F11ATMKMT2AMEN1KLKB1
SCHEMBL4751301 0.90 F11 (0.55) F11ATMKMT2AMEN1KLKB1
SCHEMBL2106688 0.90 F11 (0.55) F11ATMKMT2AMEN1KLKB1
SCHEMBL13524383 0.90 F11 (0.67) F11ATMKMT2AMEN1
SCHEMBL3173676 0.85 F11 (0.64) F11ATMKMT2AMEN1
SCHEMBL2106580 0.84 F11 (0.70) F11ATMKMT2AMEN1ACACB
SCHEMBL2106583 0.84 F11 (0.70) F11ATMKMT2AMEN1ACACB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8163749-B2 Six-membered heterocycles useful as serine protease inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2012-04-24 US disclosed
US-20090181983-A1 SIX-MEMBERED HETEROCYCLES USEFUL AS SERINE PROTEASE INHIBITORS BRISTOL -MEYERS SQUIBB COMPANY 2009-07-16 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-20090181983-A1 SIX-MEMBERED HETEROCYCLES USEFUL AS SERINE PROTEASE INHIBITORS TFPI, F11, F12 F11 2/4885ATM 1000/4885KMT2A 2045/4885

“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.