SCHEMBL526539

SCHEMBL526539

Brc1cncc(Br)c1OCCc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.45
CYP11B1 P15538 3/20 0.43
CYP11B2 P19099 3/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
IDO1 P14902 1/20 0.43
PDE4D Q08499 1/20 0.43
MAPK14 Q16539 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41
PIN1 Q13526 2/20 0.40
FFAR1 O14842 1/20 0.39
RHEB Q15382 1/20 0.39
THRA P10827 1/20 0.39
THRB P10828 1/20 0.39

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
SCHEMBL10272843 0.80 LTA4H (0.46) LTA4HCYP11B1CYP11B2NPC1RAB9A
SCHEMBL7168100 0.73 THRA (0.44) LTA4HNPC1RAB9ACA12CA1
SCHEMBL7168103 0.73 ALDH1A1 (0.50) NPC1RAB9ACA12CA1CA2
SCHEMBL12370681 0.73 ALDH1A1 (0.48) NPC1RAB9ACA12CA1CA2
SCHEMBL12603981 0.72 NPC1 (0.52) LTA4HCYP11B1CYP11B2NPC1RAB9A
SCHEMBL30608266 0.72 LMNA (0.57) CYP11B1CYP11B2NPC1RAB9AIDO1
SCHEMBL1928833 0.72 LMNA (0.57) CYP11B1CYP11B2NPC1RAB9AIDO1
SCHEMBL11629996 0.71 NPC1 (0.50) LTA4HNPC1RAB9AIDO1SMN1; SMN2
SCHEMBL10272841 0.71 CYP11B1 (0.34) CYP11B1CYP11B2
SCHEMBL31229472 0.71 PLAU (0.38) LTA4H

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2598481-B1 SULFONAMIDE COMPOUNDS USEFUL AS CYP17 INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2016-08-31 EP disclosed
EP-2598481-B1 SULFONAMIDE COMPOUNDS USEFUL AS CYP17 INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2016-08-31 EP disclosed
US-8916553-B2 Sulfonamide compounds useful as CYP17 inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2014-12-23 US disclosed
US-8916553-B2 Sulfonamide compounds useful as CYP17 inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2014-12-23 US disclosed
US-8916553-B2 Sulfonamide compounds useful as CYP17 inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2014-12-23 US disclosed
US-20140148453-A1 SULFONAMIDE COMPOUNDS USEFUL AS CYP17 INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2014-05-29 US disclosed
US-20140148453-A1 SULFONAMIDE COMPOUNDS USEFUL AS CYP17 INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2014-05-29 US disclosed
US-20140148453-A1 SULFONAMIDE COMPOUNDS USEFUL AS CYP17 INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2014-05-29 US disclosed
EP-2598481-A1 SULFONAMIDE COMPOUNDS USEFUL AS CYP17 INHIBITORS Bristol-Myers Squibb Company (US) 2013-06-05 EP disclosed
WO-2012015723-A1 SULFONAMIDE COMPOUNDS USEFUL AS CYP17 INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2012-02-02 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-20140148453-A1 SULFONAMIDE COMPOUNDS USEFUL AS CYP17 INHIBITORS SULT1A1, SULT2A1, SULT1E1 LTA4H 1786/4885CYP11B1 22/4885CYP11B2 38/4885

“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.