SCHEMBL2970566

SCHEMBL2970566

COC(=O)C(=Cc1cc(Cl)cc(Cl)c1)NC(=O)OCc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA9 Q16790 1/20 0.41
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
LMNA P02545 1/20 0.40
KAT2B Q92831 1/20 0.40
MIF P14174 1/20 0.40
P2RX7 Q99572 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL2970563 1.00 BACE1 (0.41) BACE1MEN1KMT2AL3MBTL1CA12
SCHEMBL2970560 1.00 BACE1 (0.41) BACE1MEN1KMT2AL3MBTL1CA12
SCHEMBL28781880 0.91 HCAR2 (0.43) BACE1MEN1KMT2AL3MBTL1CA12
SCHEMBL27751058 0.89 ALDH1A1 (0.43) MEN1KMT2AL3MBTL1CA12CA1
SCHEMBL13906649 0.87 CA12 (0.47) MEN1KMT2ACA12CA1CA2
SCHEMBL13409451 0.86 MGLL (0.42) MEN1KMT2ACA12CA1CA2
SCHEMBL14623158 0.84 MMP1 (0.43) MEN1KMT2ACA12CA1CA2
SCHEMBL178749 0.84 NPC1 (0.47) BACE1MEN1KMT2AL3MBTL1CA12
SCHEMBL10064863 0.84 MIF (0.41) MEN1KMT2ACA12CA1CA2
SCHEMBL13756220 0.84 NPC1 (0.47) BACE1MEN1KMT2AL3MBTL1CA12

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-7772221-B2 Diaminopropane derived macrocycles as inhibitors of β amyloid production BRISTOL-MEYERS SQUIBB COMPANY (US) 2010-08-10 US disclosed
US-20080194535-A1 DIAMINOPROPANE DERIVED MACROCYCLES AS INHIBITORS OF BETA AMYLOID PRODUCTION BRISTOL-MYERS SQUIBB COMPANY 2008-08-14 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-20080194535-A1 DIAMINOPROPANE DERIVED MACROCYCLES AS INHIBITORS OF BETA AMYLOID PRODUCTION APP, BACE1, BACE2 BACE1 2/4885MEN1 939/4885KMT2A 3547/4885

“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.