SCHEMBL4142802

SCHEMBL4142802

CC(C)(C)OC(=O)NC[C@H]1CC[C@H](C(=O)NC(Cc2ccccc2)c2cc(-c3ccc(C(N)=O)cc3)c(Cl)s2)CC1

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ATM Q13315 2/20 0.48
KMT2A Q03164 2/20 0.48
F11 P03951 13/20 0.47
KLKB1 P03952 11/20 0.47
MEN1 O00255 1/20 0.47
F10 P00742 1/20 0.43
ACACB O00763 2/20 0.41
ACACA Q13085 2/20 0.41

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
SCHEMBL4142800 1.00 ATM (0.48) ATMKMT2AF11KLKB1MEN1
SCHEMBL4129546 0.86 ATM (0.50) ATMKMT2AF11KLKB1MEN1
SCHEMBL4129549 0.86 ATM (0.50) ATMKMT2AF11KLKB1MEN1
SCHEMBL4129524 0.85 F11 (0.62) F11KLKB1F10
SCHEMBL4129527 0.85 F11 (0.62) F11KLKB1F10
SCHEMBL4138623 0.80 F11 (0.61) F11KLKB1
SCHEMBL4138626 0.80 F11 (0.61) F11KLKB1
SCHEMBL392785 0.78 F11 (0.72) ATMKMT2AF11KLKB1MEN1
SCHEMBL392733 0.78 F11 (0.72) ATMKMT2AF11KLKB1MEN1
SCHEMBL4142472 0.78 KMT2A (0.56) ATMKMT2AF11KLKB1MEN1

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 2659/4885F11 3/4885

“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.