Sugi Predict

Sugi Predict / Compounds / SCHEMBL5530670

SCHEMBL5530670

SCHEMBL5530670

CCCCCN(C(=O)NCC#N)C(=O)c1cccc(NC(=O)OC(C)(C)C)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 4/20 0.42
▸ RAB9A P51151 2/20 0.42
▸ LMNA P02545 1/20 0.42
▸ HDAC3 O15379 1/20 0.41
▸ HDAC1 Q13547 1/20 0.41
▸ HDAC2 Q92769 1/20 0.41
▸ HDAC8 Q9BY41 1/20 0.41
▸ HDAC6 Q9UBN7 1/20 0.41
▸ NPC1 O15118 1/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ PRMT5 O14744 1/20 0.40
▸ WDR77 Q9BQA1 1/20 0.40
▸ CTSS P25774 9/20 0.39
▸ CTSK P43235 8/20 0.39
▸ CTSB P07858 4/20 0.39
▸ CTSL P07711 2/20 0.39
▸ NR1H4 Q96RI1 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
SCHEMBL5521755 0.87 PRMT5 (0.42) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL6879222 0.86 NR1H4 (0.43) HPGDRAB9ALMNANPC1CYP1A2
SCHEMBL5530667 0.86 HPGD (0.43) HPGDRAB9ALMNAHDAC3HDAC1
SCHEMBL5525354 0.84 CASR (0.45) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL5522871 0.77 HDAC3 (0.47) HPGDRAB9ALMNAHDAC3HDAC1
SCHEMBL5522870 0.74 PRMT5 (0.52) LMNAHDAC3HDAC1HDAC2HDAC8
SCHEMBL6182109 0.73 CTSS (0.46) CTSSCTSKCTSBCTSL
SCHEMBL5521753 0.72 HDAC3 (0.41) RAB9AHDAC3HDAC1HDAC2HDAC8
SCHEMBL6876209 0.72 CASR (0.42) HPGDRAB9ANPC1SMN1; SMN2CTSS
SCHEMBL3745435 0.72 HDAC3 (0.55) HPGDRAB9ALMNAHDAC3HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070015755-A1 NOVEL COMPOUNDS AND COMPOSITIONS AS PROTEASE INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2007-01-18 — — US disclosed
US-20040147745-A1 Novel compounds and compositions as protease inhibitors AXYS PHARMACEUTICALS, INC. (US) 2004-07-29 — — US disclosed
EP-1178958-B1 N-CYANOMETHYL AMIDES AS PROTEASE INHIBITORS AXYS PHARM INC (US) 2004-02-18 — — EP disclosed
US-20030096796-A1 Novel compounds and compositions as protease inhibitors AXYS PHARMACEUTICALS, INC. (US) 2003-05-22 — — US disclosed
US-6455502-B1 Compounds and compositions as protease inhibitors AXYS PHARMACEUTICALS, INC. 2002-09-24 — — 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 (3 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-20030096796-A1 Novel compounds and compositions as protease inhibitors CTRL, SERPINB1, CPN1 HPGD 541/4885RAB9A 2240/4885LMNA 1379/4885
US-20040147745-A1 Novel compounds and compositions as protease inhibitors CTRL, SERPINB1, CPN1 HPGD 541/4885RAB9A 2240/4885LMNA 1379/4885
US-20070015755-A1 NOVEL COMPOUNDS AND COMPOSITIONS AS PROTEASE INHIBITORS CTRL, SERPINB1, CPN1 HPGD 541/4885RAB9A 2240/4885LMNA 1379/4885

“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.