Sugi Predict

Sugi Predict / Compounds / SCHEMBL5210203

SCHEMBL5210203

SCHEMBL5210203

CS(=O)(=O)c1c(-c2ccc(Cl)cc2)ncc(Cl)c1-c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 3/20 0.41
▸ NPSR1 Q6W5P4 2/20 0.41
▸ PTGS2 P35354 7/20 0.41
▸ KDM4E B2RXH2 2/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ POLB P06746 1/20 0.41
▸ L3MBTL1 Q9Y468 2/20 0.41
▸ GAA P10253 2/20 0.41
▸ FAAH O00519 1/20 0.40
▸ KCNH2 Q12809 1/20 0.40
▸ PTGS1 P23219 3/20 0.39
▸ CNR1 P21554 1/20 0.39
▸ MAPT P10636 1/20 0.38
▸ CYP1A2 P05177 1/20 0.38

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
SCHEMBL5207597 0.88 PTGS2 (0.40) LMNANPSR1PTGS2KDM4EALDH1A1
SCHEMBL27482775 0.88 PTGS2 (0.45) LMNANPSR1PTGS2L3MBTL1PTGS1
SCHEMBL28066 0.85 PTGS2 (0.48) LMNANPSR1PTGS2L3MBTL1FAAH
Hydrochloric Acid SCHEMBL27468627 0.84 PTGS2 (0.47) LMNANPSR1PTGS2L3MBTL1FAAH
SCHEMBL27462731 0.84 PTGS2 (0.50) LMNANPSR1PTGS2POLBL3MBTL1
SCHEMBL5207433 0.83 PLK4 (0.43) NPSR1PTGS2KDM4EALDH1A1POLB
Hydrochloric Acid SCHEMBL27483154 0.83 PTGS2 (0.49) LMNANPSR1PTGS2POLBL3MBTL1
SCHEMBL27466767 0.82 PTGS2 (0.51) LMNANPSR1PTGS2L3MBTL1FAAH
SCHEMBL27483155 0.81 PTGS2 (0.50) LMNANPSR1PTGS2L3MBTL1FAAH
SCHEMBL27482777 0.81 PTGS2 (0.47) LMNANPSR1PTGS2POLBL3MBTL1

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 42 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040029921-A1 Substituted pyridines as selective cyclooxygenase-2 inhibitors MERCK FROSST CANADA & CO. 2004-02-12 — — US claimed
US-20030065011-A1 Substituted pyridines as selective cyclooxygenase-2 inhibitors MERCK FROSST CANADA & CO. 2003-04-03 — — US claimed
US-20020042375-A1 Method of treating cancer HEIMBROOK DAVID C (US) 2002-04-11 — — US claimed
CN-1225085-A Substituted pyridines as selective cyclooxygenase-2 inhibitors MERCK FROSST CANADA INC (CA) 1999-08-04 — — CN claimed
EP-0912518-A1 SUBSTITUTED PYRIDINES AS SELECTIVE CYCLOOXYGENASE-2 INHIBITORS MERCK FROSST CANADA INC. (CA) 1999-05-06 — — EP claimed
WO-1998003484-A1 SUBSTITUTED PYRIDINES AS SELECTIVE CYCLOOXYGENASE-2 INHIBITORS MERCK FROSST CANADA INC. (CA) 1998-01-29 — — WO claimed
EP-1259235-B1 TYROSINE KINASE INHIBITORS MERCK & CO INC (US) 2007-08-01 — — EP disclosed
US-7186723-B2 Tyrosine kinase inhibitors MERCK & CO., INC. (US) 2007-03-06 — — US disclosed
EP-1404672-B1 TYROSINE KINASE INHIBITORS MERCK & CO INC (US) 2006-01-18 — — EP disclosed
US-20050070546-A1 Tyrosine kinase inhibitors MERCK SHARP & DOHME CORP. 2005-03-31 — — US disclosed
US-20040242637-A1 Tyrosine kinase inhibitors HARTMAN GEORGE D (US) 2004-12-02 — — US disclosed
US-20040235826-A1 Tyrosine kinase ihnibitors MERCK SHARP & DOHME CORP. 2004-11-25 — — US disclosed
EP-1259236-A4 TYROSINE KINASE INHIBITORS MERCK & CO INC (US) 2004-11-03 — — EP disclosed
WO-2001062252-A1 TYROSINE KINASE INHIBITORS MERCK & CO., INC. (US) 2001-08-30 — — WO disclosed
US-6071936-A ANTIINFLAMMATORY AGENTS ANTIPYRETICS, ANALGESICS, ANTICARCINOGENIC AGENTS, SIDE EFFECT REDUCTION MERCK FROSST CANADA & CO. (CA) 2000-06-06 — — US disclosed
US-6001843-A Substituted pyridines as selective cyclooxygenase-2 inhibitors MERCK & CO., INC. (US) 1999-12-14 — — US disclosed
CN-1225085-A Substituted pyridines as selective cyclooxygenase-2 inhibitors MERCK FROSST CANADA INC (CA) 1999-08-04 — — CN disclosed
EP-0912518-A1 SUBSTITUTED PYRIDINES AS SELECTIVE CYCLOOXYGENASE-2 INHIBITORS MERCK FROSST CANADA INC. (CA) 1999-05-06 — — EP disclosed
US-5861419-A ANTIINFLAMMATORY AGENTS; ANTIPYRETICS, ANALGESICS; ETORICOXIB PATENT MERCK FROSST CANAD, INC. (CA) 1999-01-19 — — US disclosed
WO-1998003484-A1 SUBSTITUTED PYRIDINES AS SELECTIVE CYCLOOXYGENASE-2 INHIBITORS MERCK FROSST CANADA INC. (CA) 1998-01-29 — — 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 (6 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-20040235826-A1 Tyrosine kinase ihnibitors KDR, FLT4, ERBB2 LMNA 3170/4885NPSR1 3233/4885PTGS2 1192/4885
US-20020042375-A1 Method of treating cancer ACP3, KLK3, FOLH1 LMNA 863/4885NPSR1 355/4885PTGS2 14/4885
US-20030065011-A1 Substituted pyridines as selective cyclooxygenase-2 inhibitors PTGS2, PTGES2, PTGS1 LMNA 3965/4885NPSR1 1655/4885PTGS2 1/4885
US-20050070546-A1 Tyrosine kinase inhibitors ERBB2, TYRO3, TIE1 LMNA 3751/4885NPSR1 4046/4885PTGS2 983/4885
US-20040029921-A1 Substituted pyridines as selective cyclooxygenase-2 inhibitors PTGS2, PTGES2, PTGS1 LMNA 3965/4885NPSR1 1655/4885PTGS2 1/4885
US-20040242637-A1 Tyrosine kinase inhibitors ERBB2, TYRO3, TIE1 LMNA 3751/4885NPSR1 4046/4885PTGS2 983/4885

“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.