Sugi Predict

Sugi Predict / Compounds / SCHEMBL1509747

SCHEMBL1509747

SCHEMBL1509747

C[C@H](NC(=O)c1ncc[nH]1)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSPA5 P11021 1/20 0.50
▸ KDM4C Q9H3R0 1/20 0.47
▸ NPC1 O15118 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ EGLN1 Q9GZT9 4/20 0.40
▸ KMT2A Q03164 2/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ CA2 P00918 2/20 0.39
▸ CA1 P00915 2/20 0.39
▸ AKR1B1 P15121 2/20 0.39
▸ HDAC4 P56524 1/20 0.37
▸ HDAC7 Q8WUI4 1/20 0.37
▸ HDAC8 Q9BY41 1/20 0.37
▸ HDAC6 Q9UBN7 1/20 0.37
▸ HDAC9 Q9UKV0 1/20 0.37
▸ HDAC5 Q9UQL6 1/20 0.37
▸ BBOX1 O75936 2/20 0.37
▸ FTO Q9C0B1 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.36
▸ CA12 O43570 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
SCHEMBL27558441 1.00 HSPA5 (0.50) HSPA5KDM4CNPC1RAB9AEGLN1
SCHEMBL12724861 0.84 HSPA5 (0.53) HSPA5NPC1RAB9AKMT2AALDH1A1
SCHEMBL1509778 0.79 MAPT (0.49) HSPA5KMT2AMEN1ALDH1A1
SCHEMBL27460343 0.79 HSPA5 (0.40) HSPA5KDM4CNPC1RAB9A
SCHEMBL8645316 0.79 HSPA5 (0.40) HSPA5KDM4CNPC1RAB9A
SCHEMBL8890777 0.79 HSPA5 (0.49) HSPA5NPC1RAB9AKMT2AMEN1
SCHEMBL8890772 0.79 HSPA5 (0.49) HSPA5NPC1RAB9AKMT2AMEN1
SCHEMBL11142669 0.78 HSPA5 (0.48) HSPA5NPC1RAB9AKMT2A
SCHEMBL12450657 0.77 HSPA5 (0.48) HSPA5NPC1RAB9A
SCHEMBL27460341 0.77 HSPA5 (0.41) HSPA5NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7960398-B2 Potent inhibitors of TNF activity VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-06-14 — — US disclosed
EP-2295054-A1 Ice inhibitors for the treatment of autoinflammatory diseases Vertex Pharmaceuticals Incorporated (US) 2011-03-16 — — EP disclosed
US-20090192094-A1 TREATMENT OF DISEASES USING ICE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-07-30 — — US disclosed
US-7531570-B2 Treatment of diseases using ICE inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-05-12 — — US disclosed
CN-1980658-A Treatment of diseases using ICE inhibitors VERTEX PHARMA (US) 2007-06-13 — — CN disclosed
EP-1778221-A2 ICE INHIBITORS FOR THE TREATMENT OF AUTOINFLAMMATORY DISEASES Vertex Pharmaceuticals Incorporated (US) 2007-05-02 — — EP disclosed
US-7205327-B2 Imidazole and benzimidazole caspase inhibitors and uses thereof VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-04-17 — — US disclosed
EP-1341767-B1 IMIDAZOLE AND BENZIMIDAZOLE CASPASE INHIBITORS AND USES THEREOF VERTEX PHARMA (US) 2007-04-11 — — EP disclosed
CN-1298707-C Imidazole and benzimidazole caspase inhibitors and uses thereof VERTEX PHARMA INC (US) 2007-02-07 — — CN disclosed
WO-2005117846-A2 ICE INHIBITORS FOR THE TREATMENT OF AUTOINFLAMMATORY DISEASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2005-12-15 — — WO disclosed
US-20050267101-A1 Interleukin-1 beta converting enzyme inhibitor: 3-(1-((4-amino-3-chlorobenzoylamino)tert-butylacetyl)-2-pyrrolidinylcarbonylamino)-3-formylpropionic acid or 4-(1-((4-amino-3-chlorobenzoylamino)tert-butylacetyl)-2-pyrrolidinylcarbonylamino)-5-ethoxy-2-tetrahydrofuranone; autoinflammatory diseases VERTEX PHARMACEUTICALS INCORPORATED 2005-12-01 — — US disclosed
EP-1499898-A2 REGULATION OF TNF-ALPHA Vertex Pharmaceuticals Incorporated (US) 2005-01-26 — — EP disclosed
US-20040048797-A1 Regulation of TNF-alpha VERTEX PHARMACEUTICALS INCORPORATED 2004-03-11 — — US disclosed
CN-1481367-A Imidazole and benzimiddzole caspase inhibitors and uses thereof ��̩��˹ҩ��ɷ����޹�˾ 2004-03-10 — — CN disclosed
WO-2003088917-A2 REGULATION OF TNF-ALPHA VERTEX PHARMACEUTICALS INCORPORATED (US) 2003-10-30 — — WO disclosed
EP-1341767-A2 IMIDAZOLE AND BENZIMIDAZOLE CASPASE INHIBITORS AND USES THEREOF Vertex Pharmaceuticals Incorporated (US) 2003-09-10 — — EP disclosed
US-20020169177-A1 Imidazole and benzimidazole caspase inhibitors and uses thereof VERTEX PHARMACEUTICALS INCORPORATED 2002-11-14 — — US disclosed
WO-2002042278-A2 IMIDAZOLE AND BENZIMIDAZOLE CASPASE INHIBITORS AND USES THEREOF VERTEX PHARMACEUTICALS INCORPORATED (US) 2002-05-30 — — 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 (4 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-20040048797-A1 Regulation of TNF-alpha TNF, TNFRSF1A, TNFRSF9 HSPA5 1702/4885KDM4C 3342/4885NPC1 3176/4885
US-20020169177-A1 Imidazole and benzimidazole caspase inhibitors and uses thereof CASP1, CASP2, CASP3 HSPA5 3134/4885KDM4C 1818/4885NPC1 2071/4885
US-20050267101-A1 Interleukin-1 beta converting enzyme inhibitor: 3-(1-((4-amino-3-chlorobenzoylamino)tert-butylacetyl)-2-pyrrolidinylcarbonylamino)-3-formylpropionic acid or 4-(1-((4-amino-3-chlorobenzoylamino)tert-butylacetyl)-2-pyrrolidinylcarbonylamino)-5-ethoxy-2-tetrahydrofuranone; autoinflammatory diseases IL1B, IL1A, NFKBIA HSPA5 1098/4885KDM4C 2456/4885NPC1 1693/4885
US-20090192094-A1 TREATMENT OF DISEASES USING ICE INHIBITORS UACA, SSB, NFKBIA HSPA5 531/4885KDM4C 1771/4885NPC1 231/4885

“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.