Sugi Predict

Sugi Predict / Compounds / SCHEMBL5207597

SCHEMBL5207597

SCHEMBL5207597

Cc1cnc(-c2ccc(Cl)cc2)c(S(C)(=O)=O)c1-c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 5/20 0.40
▸ KDM4E B2RXH2 3/20 0.40
▸ LMNA P02545 3/20 0.40
▸ GAA P10253 2/20 0.40
▸ NPSR1 Q6W5P4 2/20 0.40
▸ MAPT P10636 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ POLB P06746 1/20 0.40
▸ FAAH O00519 1/20 0.40
▸ KCNH2 Q12809 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ GRM5 P41594 1/20 0.39
▸ PTGS1 P23219 2/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ CNR1 P21554 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
SCHEMBL27548124 0.92 KDM4E (0.41) PTGS2KDM4ELMNAGAANPSR1
SCHEMBL5210203 0.88 LMNA (0.41) PTGS2KDM4ELMNAGAANPSR1
SCHEMBL5207433 0.82 PLK4 (0.43) PTGS2KDM4EGAANPSR1MAPT
SCHEMBL27480895 0.81 PTGS2 (0.49) PTGS2LMNAGAAMAPTPOLB
SCHEMBL28066 0.76 PTGS2 (0.48) PTGS2LMNANPSR1FAAHL3MBTL1
SCHEMBL27482775 0.76 PTGS2 (0.45) PTGS2LMNANPSR1L3MBTL1PTGS1
SCHEMBL27480894 0.76 KDM4E (0.40) PTGS2KDM4ELMNAGAANPSR1
SCHEMBL27480893 0.76 NFKB1 (0.44) KDM4ELMNAGAANPSR1MAPT
Hydrochloric Acid SCHEMBL27468627 0.75 PTGS2 (0.47) PTGS2LMNANPSR1FAAHL3MBTL1
SCHEMBL27462731 0.72 PTGS2 (0.50) PTGS2LMNANPSR1POLBL3MBTL1

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 41 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 PTGS2 1192/4885KDM4E 2065/4885LMNA 3170/4885
US-20020042375-A1 Method of treating cancer ACP3, KLK3, FOLH1 PTGS2 14/4885KDM4E 3609/4885LMNA 863/4885
US-20030065011-A1 Substituted pyridines as selective cyclooxygenase-2 inhibitors PTGS2, PTGES2, PTGS1 PTGS2 1/4885KDM4E 1801/4885LMNA 3965/4885
US-20050070546-A1 Tyrosine kinase inhibitors ERBB2, TYRO3, TIE1 PTGS2 983/4885KDM4E 2200/4885LMNA 3751/4885
US-20040029921-A1 Substituted pyridines as selective cyclooxygenase-2 inhibitors PTGS2, PTGES2, PTGS1 PTGS2 1/4885KDM4E 1801/4885LMNA 3965/4885
US-20040242637-A1 Tyrosine kinase inhibitors ERBB2, TYRO3, TIE1 PTGS2 983/4885KDM4E 2200/4885LMNA 3751/4885

“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.