SCHEMBL2978393

SCHEMBL2978393

Cc1ccc2c(c1)C(NC(=O)C(F)(F)F)CC2O

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.41
GAA P10253 1/20 0.41
HTT P42858 2/20 0.39
NCOA1 Q15788 1/20 0.39
NCOA3 Q9Y6Q9 1/20 0.39
KMT2A Q03164 1/20 0.38
HSD17B2 P37059 7/20 0.38
KDM4E B2RXH2 3/20 0.38
ALDH1A1 P00352 2/20 0.38
HSD17B1 P14061 3/20 0.37
CHRNB2 P17787 1/20 0.36
CHRNA4 P43681 1/20 0.36
RAB9A P51151 1/20 0.36

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
SCHEMBL2973283 1.00 LMNA (0.41) LMNAGAAHTTNCOA1NCOA3
SCHEMBL2984265 1.00 LMNA (0.41) LMNAGAAHTTNCOA1NCOA3
SCHEMBL2980017 0.83 LMNA (0.39) LMNAGAAHTTNCOA1NCOA3
SCHEMBL1686373 0.82 LMNA (0.62) LMNAGAAHTTNCOA1NCOA3
SCHEMBL1686377 0.82 LMNA (0.62) LMNAGAAHTTNCOA1NCOA3
SCHEMBL1686374 0.82 LMNA (0.62) LMNAGAAHTTNCOA1NCOA3
SCHEMBL1686422 0.82 LMNA (0.62) LMNAGAAHTTNCOA1NCOA3
SCHEMBL2792233 0.82 LMNA (0.62) LMNAGAAHTTNCOA1NCOA3
SCHEMBL1686424 0.82 LMNA (0.62) LMNAGAAHTTNCOA1NCOA3
SCHEMBL2978364 0.81 HTT (0.38) LMNAGAAHTTNCOA1NCOA3

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 LMNA 489/4885GAA 418/4885HTT 222/4885

“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.