SCHEMBL3987667

SCHEMBL3987667

COc1c(Br)ccc(NC(=O)OC(C)(C)C)c1C(=O)OCc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.42
RAB9A P51151 2/20 0.42
NPC1 O15118 1/20 0.42
HTT P42858 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
AKT1 P31749 1/20 0.38
MAPT P10636 1/20 0.38
CTSL P07711 1/20 0.38
TSHR P16473 1/20 0.38
PPARA Q07869 1/20 0.38
KMT2A Q03164 2/20 0.37
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA7 P43166 1/20 0.37
CA14 Q9ULX7 1/20 0.37
SLC6A2 P23975 1/20 0.37
SLC6A3 Q01959 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
ATM Q13315 1/20 0.37
PRKCZ Q05513 1/20 0.37

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
SCHEMBL3982675 0.87 RAB9A (0.46) SYKRAB9ANPC1AKT1MAPT
SCHEMBL3987729 0.86 RAB9A (0.43) SYKRAB9ANPC1AKT1MAPT
SCHEMBL3979308 0.81 MEN1 (0.36) RAB9ANPC1HTTMAPTKMT2A
SCHEMBL13737363 0.78 NPC1 (0.49) SYKRAB9ANPC1HTTL3MBTL1
SCHEMBL17813565 0.78 CA1 (0.44) HTTL3MBTL1AKT1MAPTKMT2A
SCHEMBL17652833 0.78 PRKCZ (0.49) NPC1HTTL3MBTL1TSHRKMT2A
SCHEMBL12872990 0.77 ALDH1A1 (0.56) SYKRAB9ANPC1HTTL3MBTL1
SCHEMBL3979669 0.76 NPC1 (0.44) SYKRAB9ANPC1MAPTCTSL
SCHEMBL3988273 0.76 RAB9A (0.44) SYKRAB9ANPC1L3MBTL1MAPT
SCHEMBL3980607 0.76 KMT2A (0.45) RAB9ANPC1HTTL3MBTL1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7491718-B2 Sulfonamides having antiangiogenic and anticancer activity ABBOTT LABORATORIES (US) 2009-02-17 US disclosed
US-20040167128-A1 Sulfonamides having antiangiogenic and anticancer activity ABBVIE INC. 2004-08-26 US disclosed
US-20040157836-A1 Sulfonamides having antiangiogenic and anticancer activity ABBOTT LABORATORIES 2004-08-12 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 (2 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-20040167128-A1 Sulfonamides having antiangiogenic and anticancer activity METAP2, METAP1, DNPEP SYK 3438/4885RAB9A 3370/4885NPC1 4400/4885
US-20040157836-A1 Sulfonamides having antiangiogenic and anticancer activity METAP2, METAP1, DNPEP SYK 3438/4885RAB9A 3370/4885NPC1 4400/4885

“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.