SCHEMBL4129546

SCHEMBL4129546

CC(C)(C)OC(=O)NCC1CCC(C(=O)NC(Cc2ccccc2)c2cc(-c3ccc(C(N)=O)cc3)cs2)CC1

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ATM Q13315 2/20 0.50
KMT2A Q03164 2/20 0.50
MEN1 O00255 1/20 0.49
F11 P03951 15/20 0.46
KLKB1 P03952 7/20 0.46
F10 P00742 1/20 0.45
PRSS1 P07477 1/20 0.44
PRSS2 P07478 1/20 0.44
PRSS3 P35030 1/20 0.44

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
SCHEMBL4129549 1.00 ATM (0.50) ATMKMT2AMEN1F11KLKB1
SCHEMBL4142800 0.86 ATM (0.48) ATMKMT2AMEN1F11KLKB1
SCHEMBL4142802 0.86 ATM (0.48) ATMKMT2AMEN1F11KLKB1
SCHEMBL4142472 0.86 KMT2A (0.56) ATMKMT2AMEN1F11KLKB1
SCHEMBL4142475 0.86 KMT2A (0.56) ATMKMT2AMEN1F11KLKB1
SCHEMBL5594023 0.85 ACACB (0.43) ATMKMT2AMEN1
SCHEMBL8237611 0.84 KMT2A (0.48) ATMKMT2AMEN1F11KLKB1
SCHEMBL392733 0.79 F11 (0.72) ATMKMT2AMEN1F11KLKB1
SCHEMBL392785 0.79 F11 (0.72) ATMKMT2AMEN1F11KLKB1
SCHEMBL13524383 0.79 F11 (0.67) ATMKMT2AMEN1F11

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-8466295-B2 Thiophene derivatives as factor XIa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2013-06-18 US disclosed
US-20090253766-A1 THIOPHENE DERIVATIVES AS FACTOR XIA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2009-10-08 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-20090253766-A1 THIOPHENE DERIVATIVES AS FACTOR XIA INHIBITORS TFPI, F12, F11 ATM 690/4885KMT2A 2659/4885MEN1 1635/4885

“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.