Sugi Predict

Sugi Predict / Compounds / SCHEMBL13061311

SCHEMBL13061311

SCHEMBL13061311

CC(=O)c1ccc2[nH]c(C=O)cc2c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2A6 P11509 2/20 0.51
▸ HRH4 Q9H3N8 1/20 0.48
▸ PLD2 O14939 1/20 0.44
▸ PLD1 Q13393 1/20 0.44
▸ KIF11 P52732 1/20 0.42
▸ MAPT P10636 2/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ HRH3 Q9Y5N1 1/20 0.38
▸ EGFR P00533 2/20 0.38
▸ PIK3CA P42336 2/20 0.38
▸ MMP2 P08253 1/20 0.38
▸ MMP13 P45452 1/20 0.38
▸ PRMT1 Q99873 2/20 0.37
▸ HDAC2 Q92769 1/20 0.37
▸ MAOA P21397 1/20 0.37
▸ HTR1A P08908 1/20 0.36
▸ HTR1D P28221 1/20 0.36
▸ HTR1B P28222 1/20 0.36
▸ KMT2A Q03164 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
SCHEMBL20571284 0.85 CYP2A6 (0.53) CYP2A6ALDH1A1HPGDHRH3PIN1
SCHEMBL5793342 0.83 CREBBP (0.48) CYP2A6KIF11ALDH1A1HPGDHRH3
SCHEMBL7830338 0.80 MMP13 (0.54) CYP2A6MAPTALDH1A1HPGDMMP13
SCHEMBL29654086 0.79 HRH3 (0.58) MAPTALDH1A1HPGDHRH3MMP2
SCHEMBL28797830 0.79 HRH3 (0.58) MAPTALDH1A1HPGDHRH3MMP2
SCHEMBL15223730 0.77 HRH4 (0.62) CYP2A6HRH4PLD2PLD1KIF11
SCHEMBL27279096 0.77 HRH4 (0.51) CYP2A6HRH4PLD2PLD1KIF11
SCHEMBL13267581 0.77 MAOB (0.55) CYP2A6HRH4PLD2PLD1KIF11
SCHEMBL21234778 0.75 CYP2A6 (0.50) CYP2A6MAPTALDH1A1HPGDMMP13
SCHEMBL5159704 0.75 CYP2A6 (0.58) CYP2A6HRH4

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
CN-111807978-B Preparation method of Robecoxib 武汉川泰科技有限公司 2023-03-14 — — CN claimed
CN-111807978-A Preparation method of Robecoxib 武汉川泰科技有限公司 2020-10-23 — — CN claimed
CN-111807978-B Preparation method of Robecoxib 武汉川泰科技有限公司 2023-03-14 — — CN disclosed
CN-111807978-A Preparation method of Robecoxib 武汉川泰科技有限公司 2020-10-23 — — CN disclosed
US-20100330109-A1 INHIBITORS OF SERINE PROTEASES, PARTICULARLY HCV NS3-NS4A PROTEASE VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-12-30 — — US disclosed
US-7847105-B2 Methods and compounds for preparing CC-1065 analogs MEDAREX, INC. (US) 2010-12-07 — — US disclosed
US-7683033-B2 Inhibitors of serine proteases, particularly HCV NS3-NS4A protease VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-03-23 — — US disclosed
US-20080281102-A1 Methods and Compounds For Preparing Cc-1065 Analogs MEDAREX, INC. (US) 2008-11-13 — — 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-20100330109-A1 INHIBITORS OF SERINE PROTEASES, PARTICULARLY HCV NS3-NS4A PROTEASE PRSS1, SERPINB1, SPINT2 CYP2A6 910/4885HRH4 3347/4885PLD2 4498/4885
US-20080281102-A1 Methods and Compounds For Preparing Cc-1065 Analogs CCNI, CBR3, CNR1 CYP2A6 557/4885HRH4 202/4885PLD2 1269/4885

“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.