Sugi Predict

Sugi Predict / Compounds / SCHEMBL6182850

SCHEMBL6182850

SCHEMBL6182850

CCOC(=O)N1CCC(Nc2nc(-c3ccc(C(=O)N[C@@H](CC(C)C)C(=O)N(C)C#N)cc3)cs2)CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ENPP2 Q13822 6/20 0.48
▸ ITGB3 P05106 4/20 0.44
▸ ITGA2B P08514 4/20 0.44
▸ MAPT P10636 4/20 0.42
▸ ALDH1A1 P00352 3/20 0.42
▸ HTT P42858 2/20 0.42
▸ KDM4E B2RXH2 2/20 0.42
▸ NPC1 O15118 2/20 0.42
▸ S1PR2 O95136 1/20 0.42
▸ NR2F2 P24468 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ CTSB P07858 2/20 0.42
▸ P2RY12 Q9H244 1/20 0.41
▸ PHGDH O43175 1/20 0.40
▸ USP2 O75604 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ CTSL P07711 1/20 0.40
▸ CTSS P25774 1/20 0.40

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
SCHEMBL6182853 0.88 CTSB (0.51) ENPP2ITGB3ITGA2BMAPTALDH1A1
SCHEMBL7489115 0.86 CTSB (0.46) ITGB3ITGA2BMAPTALDH1A1HTT
SCHEMBL6183359 0.83 ENPP2 (0.46) ENPP2ITGB3ITGA2BMAPTALDH1A1
SCHEMBL6182694 0.81 CTSB (0.50) ENPP2ALDH1A1HTTCTSBCTSL
SCHEMBL7450076 0.79 CTSB (0.54) MAPTALDH1A1HTTKDM4ENPC1
SCHEMBL6185994 0.79 CTSB (0.54) MAPTALDH1A1HTTKDM4ENPC1
SCHEMBL6184939 0.78 ENPP2 (0.61) ENPP2ITGB3ITGA2BMAPTALDH1A1
SCHEMBL7450318 0.78 CTSB (0.54) ALDH1A1KDM4ECTSBCTSLCTSS
SCHEMBL7433953 0.76 ENPP2 (0.47) ENPP2ITGB3ITGA2BMAPTALDH1A1
SCHEMBL6182261 0.76 ENPP2 (0.47) ENPP2ITGB3ITGA2BMAPTALDH1A1

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
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

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 ENPP2 834/4885ITGB3 2028/4885ITGA2B 2923/4885
US-20030119788-A1 Novel compounds and compositions as protease inhibitors CTRL, SERPINB1, CPN1 ENPP2 834/4885ITGB3 2028/4885ITGA2B 2923/4885

“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.