Sugi Predict

Sugi Predict / Compounds / SCHEMBL4064828

SCHEMBL4064828

SCHEMBL4064828

CCN1CCS(=O)(=O)N(c2nc(C(=O)OC)c(O)c3ncccc23)CC1=O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CALCA P06881 7/20 0.51
▸ KDM4E B2RXH2 3/20 0.37
▸ MAPT P10636 4/20 0.33
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ GAA P10253 1/20 0.33
▸ HTT P42858 2/20 0.33
▸ MPI P34949 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ CTSB P07858 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ TP53 P04637 2/20 0.32
▸ ALOX15 P16050 2/20 0.32
▸ TDP1 Q9NUW8 2/20 0.32
▸ L3MBTL1 Q9Y468 2/20 0.32
▸ EGLN1 Q9GZT9 1/20 0.32
▸ USP2 O75604 1/20 0.32
▸ ALOX12 P18054 1/20 0.32

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
SCHEMBL4064836 0.92 CALCA (0.46) CALCAKDM4EMAPTSMN1; SMN2GAA
SCHEMBL4060391 0.88 CALCA (0.51) CALCAKDM4EMAPTSMN1; SMN2GAA
SCHEMBL4064898 0.84 CALCA (0.72) CALCAMAPTSMN1; SMN2KMT2ATP53
SCHEMBL4067727 0.82 CALCA (0.65) CALCAKDM4EMAPTSMN1; SMN2GAA
SCHEMBL4067964 0.81 CALCA (0.69) CALCAKDM4EMAPTSMN1; SMN2HTT
SCHEMBL4072599 0.81 CALCA (0.68) CALCAKDM4EMAPTSMN1; SMN2HTT
SCHEMBL4066023 0.79 CALCA (0.54) CALCAKDM4EMAPTSMN1; SMN2GAA
SCHEMBL7262571 0.77 CALCA (0.53) CALCAKDM4EMAPTSMN1; SMN2GAA
SCHEMBL4064901 0.76 CALCA (0.66) CALCAMAPTSMN1; SMN2KMT2ATP53
SCHEMBL4067974 0.76 CALCA (0.56) CALCAKDM4EMAPTSMN1; SMN2GAA

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 CALCA 3366/4885KDM4E 288/4885MAPT 2944/4885
US-20050176718-A1 Aza- and polyaza-naphthalenyl carboxamides useful as HIV integrase inhibitors POLI, DUT, NAAA CALCA 3366/4885KDM4E 288/4885MAPT 2944/4885

“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.