SCHEMBL381399

SCHEMBL381399

C[C@@H](C(=O)Nc1ccc(Br)[nH]c1=O)N(C)C(=O)OCc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 2/20 0.41
CTSK P43235 4/20 0.40
CTSL P07711 2/20 0.40
CTSB P07858 2/20 0.40
CTSS P25774 2/20 0.40
ALDH1A1 P00352 2/20 0.38
MAPT P10636 1/20 0.38
HPGD P15428 1/20 0.38
HSD17B10 Q99714 1/20 0.38
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
AAK1 Q2M2I8 1/20 0.36
MMP8 P22894 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
ATM Q13315 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
KDM4E B2RXH2 1/20 0.35
LMNA P02545 1/20 0.35
CASP1 P29466 1/20 0.35

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
SCHEMBL1909577 0.88 ABCB1 (0.42) ABCB1CTSKCTSLCTSBCTSS
SCHEMBL10072980 0.88 ABCB1 (0.41) ABCB1CTSKCTSLCTSBCTSS
SCHEMBL1162884 0.76 ABCB1 (0.52) ABCB1CTSKCTSLCTSBCTSS
SCHEMBL10788987 0.74 ABCB1 (0.59) ABCB1CTSKCTSLCTSBCTSS
SCHEMBL11517729 0.74 ABCB1 (0.50) ABCB1CTSKCTSLCTSBCTSS
SCHEMBL20901315 0.74 ABCB1 (0.50) ABCB1CTSKCTSLCTSBCTSS
SCHEMBL11653753 0.73 SMN1; SMN2 (0.50) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL7404261 0.73 ABCB1 (0.53) ABCB1CTSKCTSLCTSBCTSS
SCHEMBL381080 0.73 ABCB1 (0.53) ABCB1CTSKCTSLCTSBCTSS
SCHEMBL381082 0.73 ABCB1 (0.53) ABCB1CTSKCTSLCTSBCTSS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2086938-B1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2012-01-25 EP disclosed
US-8058272-B2 Organic compounds NOVARTIS AG (CH) 2011-11-15 US disclosed
US-8058272-B2 Organic compounds NOVARTIS AG (CH) 2011-11-15 US disclosed
US-8058272-B2 Organic compounds NOVARTIS AG (CH) 2011-11-15 US disclosed
US-20100048571-A1 Organic Compounds NOVARTIS AG 2010-02-25 US disclosed
US-20100048571-A1 Organic Compounds NOVARTIS AG 2010-02-25 US disclosed
WO-2008073306-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2008-06-19 WO 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-20100048571-A1 Organic Compounds XIAP, BAX, MCL1 ABCB1 111/4885CTSK 2358/4885CTSL 1570/4885

“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.