Sugi Predict

Sugi Predict / Compounds / SCHEMBL5335840

SCHEMBL5335840

SCHEMBL5335840

COC(=O)c1cc(CBr)cc(C(C)(C)C)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NOTUM Q6P988 1/20 0.46
▸ CA1 P00915 3/20 0.44
▸ CA2 P00918 3/20 0.44
▸ CA12 O43570 1/20 0.42
▸ CA7 P43166 1/20 0.42
▸ CA9 Q16790 1/20 0.42
▸ CA14 Q9ULX7 1/20 0.42
▸ KDM4E B2RXH2 3/20 0.41
▸ LMNA P02545 3/20 0.41
▸ GAA P10253 2/20 0.41
▸ LOXL2 Q9Y4K0 2/20 0.41
▸ POLB P06746 1/20 0.41
▸ NFKB1 P19838 1/20 0.41
▸ XDH P47989 1/20 0.41
▸ GFER P55789 1/20 0.41
▸ NFKB2 Q00653 1/20 0.41
▸ RELA Q04206 1/20 0.41
▸ FUT7 Q11130 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL14293711 0.87 NOTUM (0.49) NOTUMCA1CA2CA12CA7
SCHEMBL21712070 0.86 NOTUM (0.65) NOTUMCA1CA2CA12CA7
SCHEMBL546533 0.85 CA1 (0.46) NOTUMCA1CA2CA12CA7
SCHEMBL455338 0.84 CA12 (0.52) NOTUMCA1CA2CA12CA7
SCHEMBL4652534 0.84 CA12 (0.52) NOTUMCA1CA2CA12CA7
SCHEMBL937808 0.84 NOTUM (0.41) NOTUMCA1CA2CA12CA7
SCHEMBL16011700 0.83 LMNA (0.49) NOTUMCA1CA2CA12CA7
SCHEMBL546298 0.82 CA1 (0.54) NOTUMCA1CA2CA12CA7
SCHEMBL2033863 0.82 CA1 (0.54) NOTUMCA1CA2CA12CA7
SCHEMBL4726796 0.81 RXRA (0.46) TDP1

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 25 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007075896-A2 HETEROCYCLIC CYTOKINE INHIBITORS KEMIA, INC. (US) 2007-07-05 — — WO disclosed
US-7220780-B2 Naaladase inhibitors for treating retinal disorders and glaucoma GUILFORD PHARMACEUTICALS INC. (US) 2007-05-22 — — US disclosed
US-7220780-B2 Naaladase inhibitors for treating retinal disorders and glaucoma GUILFORD PHARMACEUTICALS INC. (US) 2007-05-22 — — US disclosed
US-7205295-B2 Benzoxazin-3-ones and derivatives thereof as therapeutic agents WARNER-LAMBERT COMPANY LLC (US) 2007-04-17 — — US disclosed
US-7148250-B2 Indoles as NAALADase inhibitors GUILFORD PHARMACEUTICALS INC. (US) 2006-12-12 — — US disclosed
US-20060135812-A1 Thiol-based NAALADase inhibitors TSUKAMOTO TAKASHI 2006-06-22 — — US disclosed
US-6992215-B2 Thiol-based NAALADase inhibitors GUILDFORD PHARMACEUTICALS INC. (US) 2006-01-31 — — US disclosed
EP-1569653-A1 BENZOXAZIN-3-ONES AND DERIVATIVES THEREOF AS INHIBITORS OF PI3K Warner-Lambert Company LLC (US) 2005-09-07 — — EP disclosed
US-20050085503-A1 Thiol-based NAALADase inhibitors GUILFORD PHARMACEUTICALS INC, 2005-04-21 — — US disclosed
US-20050080128-A1 Indoles as naaladase inhibitors EISAI INC. 2005-04-14 — — US disclosed
EP-1353903-A2 THIOL-BASED NAALADASE INHIBITORS GUILFORD PHARMACEUTICALS INC. (US) 2003-10-22 — — EP disclosed
WO-2003057670-A2 INDOLES AS NAALADASE INHIBITORS GUILFORD PHARMACEUTICALS INC. (US) 2003-07-17 — — WO disclosed
US-6586623-B2 Carbocyclic mercaptans such as 3-carboxy-alpha-(3-mercapto-propyl) benzenepropanoic acid, used as N-acetylated alpha-linked acidic dipeptidase(NAALADase) inhibitors and for medical diadnosis GUILFORD PHARMACEUTICALS INC. 2003-07-01 — — US disclosed
US-20030105088-A1 Thiol-based NAALADase inhibitors GUILFORD PHARMACEUTICALS INC. 2003-06-05 — — US disclosed
EP-1292601-A2 NAALADASE INHIBITORS FOR TREATING RETINAL DISORDERS AND GLAUCOMA GUILFORD PHARMACEUTICALS INC. (US) 2003-03-19 — — EP disclosed
US-20030036534-A1 Naaladase inhibitors for treating retinal disorders and glaucoma EISAI INC. 2003-02-20 — — US disclosed
WO-2002057222-A2 THIOL-BASED NAALADASE INHIBITORS GUILFORD PHARMACEUTICALS INC. (US) 2002-07-25 — — WO disclosed
US-20020013295-A1 Naaladase inhibitors for treating amyotrophic lateral sclerosis GUILFORD PHARMACEUTICALS INC., A DELAWARE CORPORATION 2002-01-31 — — US disclosed
WO-2001091738-A2 NAALADASE INHIBITORS FOR TREATING AMYOTROPHIC LATERAL SCLEROSIS GUILFORD PHARMACEUTICALS INC. (US) 2001-12-06 — — WO disclosed
WO-2001092274-A2 NAALADASE INHIBITORS FOR TREATING RETINAL DISORDERS AND GLAUCOMA GUILFORD PHARMACEUTICALS INC. (US) 2001-12-06 — — 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 (6 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-20060135812-A1 Thiol-based NAALADase inhibitors NAALAD2, GLUL, GGCT NOTUM 1372/4885CA1 508/4885CA2 546/4885
US-20020013295-A1 Naaladase inhibitors for treating amyotrophic lateral sclerosis SMN1; SMN2, GAA, NAALAD2 NOTUM 1333/4885CA1 765/4885CA2 912/4885
US-20050080128-A1 Indoles as naaladase inhibitors NAALAD2, RIMKLA, NGF NOTUM 1852/4885CA1 558/4885CA2 268/4885
US-20030105088-A1 Thiol-based NAALADase inhibitors NAALAD2, GLUL, RIMKLA NOTUM 1340/4885CA1 455/4885CA2 506/4885
US-20050085503-A1 Thiol-based NAALADase inhibitors NAALAD2, GLUL, FOLH1 NOTUM 1315/4885CA1 525/4885CA2 506/4885
US-20030036534-A1 Naaladase inhibitors for treating retinal disorders and glaucoma ALDH1A2, GAA, PDE6A NOTUM 1323/4885CA1 1787/4885CA2 168/4885

“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.