Sugi Predict

Sugi Predict / Compounds / SCHEMBL6181767

SCHEMBL6181767

SCHEMBL6181767

CC1CN(C(N)=S)CCN1C(=O)OC(C)(C)C

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ SETD7 Q8WTS6 2/20 0.47
▸ MAP4K4 O95819 1/20 0.42
▸ NR1H2 P55055 1/20 0.39
▸ SPR P35270 4/20 0.38
▸ HDAC1 Q13547 1/20 0.38
▸ GPR119 Q8TDV5 2/20 0.38
▸ PDK1 Q15118 1/20 0.37
▸ PDK2 Q15119 1/20 0.37
▸ PDK3 Q15120 1/20 0.37
▸ PDK4 Q16654 1/20 0.37
▸ USP2 O75604 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.36
▸ NTRK1 P04629 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
SCHEMBL21576657 0.88 SETD7 (0.49) SETD7MAP4K4NR1H2SPRHDAC1
SCHEMBL4336794 0.86 SETD7 (0.52) SETD7MAP4K4NR1H2SPRUSP2
SCHEMBL15105056 0.83 SETD7 (0.50) SETD7MAP4K4NR1H2SPRHDAC1
SCHEMBL2053722 0.83 SETD7 (0.50) SETD7MAP4K4NR1H2SPRGPR119
SCHEMBL31094813 0.83 SETD7 (0.50) SETD7MAP4K4NR1H2SPRHDAC1
SCHEMBL3639918 0.83 SETD7 (0.50) SETD7MAP4K4NR1H2SPRHDAC1
SCHEMBL31570967 0.83 SETD7 (0.46) SETD7MAP4K4NR1H2SPRGPR119
SCHEMBL17560385 0.82 SETD7 (0.49) SETD7NR1H2SPRGPR119USP2
SCHEMBL27872224 0.82 SETD7 (0.49) SETD7NR1H2SPRGPR119USP2
SCHEMBL17560383 0.82 SETD7 (0.49) SETD7NR1H2SPRGPR119USP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1161415-B1 N-CYANOMETHYLAMIDES AS PROTEASE INHIBITORS AXYS PHARM INC (US) 2005-07-13 — — EP disclosed
US-6593327-B2 N-cyanomethyl amides which are cysteine protease inhibitors; treating osteoporosis; mixtures with bisphosphonates AXYS PHARMACEUTICALS, INC. 2003-07-15 — — US disclosed
US-20030119788-A1 Novel compounds and compositions as protease inhibitors AXYS PHARMACEUTICALS, INC. (US) 2003-06-26 — — US disclosed
US-6476026-B1 Compounds and compositions as protease inhibitors AXYS PHARMACEUTICALS, INC. 2002-11-05 — — US disclosed
US-20020086996-A1 Novel compounds and compositions as protease inhibitors AXYS PHARMACEUTICALS, INC. (US) 2002-07-04 — — US disclosed
EP-1161415-A2 N-CYANOMETHYLAMIDES AS PROTEASE INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2001-12-12 — — EP disclosed
WO-2001068645-A2 N-CYANOMETHYLCARBOXAMIDES AND THEIR USE AS PROTEASE INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2001-09-20 — — WO disclosed
WO-2000055126-A2 N-CYANOMETHYLAMIDES AS PROTEASE INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2000-09-21 — — 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 (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-20020086996-A1 Novel compounds and compositions as protease inhibitors CTRL, SERPINB1, CPN1 SETD7 2997/4885MAP4K4 2253/4885NR1H2 4069/4885
US-20030119788-A1 Novel compounds and compositions as protease inhibitors CTRL, SERPINB1, CPN1 SETD7 2997/4885MAP4K4 2253/4885NR1H2 4069/4885

“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.