Sugi Predict

Sugi Predict / Compounds / SCHEMBL4066544

SCHEMBL4066544

SCHEMBL4066544

CCNCCS(=O)(=O)NCC(=O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MMP12 P39900 4/20 0.41
▸ MMP13 P45452 4/20 0.41
▸ MMP8 P22894 3/20 0.41
▸ KIF11 P52732 1/20 0.34
▸ MMP1 P03956 3/20 0.33
▸ MMP7 P09237 2/20 0.33
▸ MAPT P10636 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ GAA P10253 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.31
▸ L3MBTL1 Q9Y468 1/20 0.30
▸ MMP2 P08253 1/20 0.30
▸ MMP3 P08254 1/20 0.30
▸ MMP9 P14780 1/20 0.30
▸ APEX1 P27695 1/20 0.30
▸ MME P08473 1/20 0.30
▸ ACE P12821 1/20 0.30
▸ CPA1 P15085 1/20 0.30
▸ ACE2 Q9BYF1 1/20 0.30

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
SCHEMBL4069136 0.80 MMP12 (0.44) MMP12MMP13MMP8MMP1MMP7
SCHEMBL10359258 0.79 MMP12 (0.46) MMP12MMP13MMP8MMP1MMP7
SCHEMBL634198 0.77 MMP12 (0.42) MMP12MMP13MMP8MMP1MMP7
SCHEMBL4064910 0.76 CA12 (0.42) KIF11
SCHEMBL10897013 0.76 MMP8 (0.44) MMP12MMP13MMP8ALDH1A1MEN1
SCHEMBL1110883 0.74 RELA (0.44) MMP12MMP13MMP8ALDH1A1MEN1
SCHEMBL14173629 0.73 RELA (0.46) ALDH1A1MEN1KMT2A
SCHEMBL11521699 0.73 RELA (0.46) ALDH1A1MEN1KMT2A
SCHEMBL5604517 0.73 RELA (0.46) ALDH1A1MEN1KMT2A
SCHEMBL10559242 0.73 RELA (0.46) ALDH1A1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1326865-B1 AZA- AND POLYAZA-NAPHTHALENYL CARBOXAMIDES USEFUL AS HIV INTEGRASE INHIBITORS MERCK & CO INC (US) 2009-05-06 — — EP disclosed
US-20050176718-A1 Aza- and polyaza-naphthalenyl carboxamides useful as HIV integrase inhibitors ANTHONY NEVILLE J (US) 2005-08-11 — — US disclosed
US-6921759-B2 Aza- and polyaza-naphthalenyl carboxamides useful as HIV integrase inhibitors MERCK & CO., INC. (US) 2005-07-26 — — US disclosed
EP-1326865-A2 AZA- AND POLYAZA-NAPHTHALENYL CARBOXAMIDES USEFUL AS HIV INTEGRASE INHIBITORS Merck & Co., Inc. (US) 2003-07-16 — — EP disclosed
US-20030055071-A1 Aza- and polyaza-naphthalenyl carboxamides useful as HIV integrase inhibitors MERCK SHARP & DOHME CORP. 2003-03-20 — — US disclosed
WO-2002030930-A2 AZA- AND POLYAZA-NAPHTHALENYL CARBOXAMIDES USEFUL AS HIV INTEGRASE INHIBITORS MERCK & CO., INC. (US) 2002-04-18 — — 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-20030055071-A1 Aza- and polyaza-naphthalenyl carboxamides useful as HIV integrase inhibitors POLI, DUT, NAAA MMP12 1632/4885MMP13 4116/4885MMP8 1728/4885
US-20050176718-A1 Aza- and polyaza-naphthalenyl carboxamides useful as HIV integrase inhibitors POLI, DUT, NAAA MMP12 1632/4885MMP13 4116/4885MMP8 1728/4885

“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.