SCHEMBL4064154

SCHEMBL4064154

CS(=O)(=O)c1cc(F)ccc1C#N.CS(=O)(=O)c1ccc(C#N)c(F)c1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EPAS1 Q99814 1/20 0.46
PTGS2 P35354 6/20 0.43
PTGS1 P23219 1/20 0.41
SLC22A12 Q96S37 4/20 0.40
TRPV4 Q9HBA0 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
CYP11B1 P15538 1/20 0.38
CYP11B2 P19099 1/20 0.38
HTR2A P28223 1/20 0.37
HTR2C P28335 1/20 0.37
KCNH2 Q12809 1/20 0.37

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
SCHEMBL1271815 0.88 EPAS1 (0.42) EPAS1PTGS2PTGS1SLC22A12MEN1
SCHEMBL2888292 0.88 EPAS1 (0.51) EPAS1PTGS2PTGS1SLC22A12TRPV4
SCHEMBL21743085 0.75 EPAS1 (0.47) EPAS1PTGS2PTGS1SLC22A12
SCHEMBL29212553 0.75 EPAS1 (0.44) EPAS1PTGS2PTGS1MEN1KMT2A
SCHEMBL12327372 0.75 EPAS1 (0.55) EPAS1PTGS2PTGS1SLC22A12
SCHEMBL27303724 0.73 PTGS2 (0.43) EPAS1PTGS2
SCHEMBL10051874 0.72 EPAS1 (0.55) EPAS1PTGS2PTGS1
SCHEMBL57346 0.72 TRPV4 (0.61) TRPV4CYP11B1CYP11B2
SCHEMBL30919072 0.72 TRPV4 (0.61) TRPV4CYP11B1CYP11B2
SCHEMBL23579849 0.72 CA2 (0.56) PTGS2PTGS1TRPV4

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 13 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-7279487-B2 Hydroxynaphthyridinone carboxamides useful as HIV integrase inhibitors MERCK & CO., INC. (US) 2007-10-09 US disclosed
EP-1467970-B1 HYDROXYNAPHTHYRIDINONE CARBOXAMIDES USEFUL AS HIV INTEGRASE INHIBITORS MERCK & CO INC (US) 2007-08-22 EP disclosed
EP-1467970-A4 HYDROXYNAPHTHYRIDINONE CARBOXAMIDES USEFUL AS HIV INTEGRASE INHIBITORS MERCK & CO INC (US) 2005-12-21 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
US-20050119482-A1 Hydroxynaphthyridinone carboxamides useful as hiv integrase inhibitors MERCK SHARP & DOHME CORP. 2005-06-02 US disclosed
EP-1467970-A1 HYDROXYNAPHTHYRIDINONE CARBOXAMIDES USEFUL AS HIV INTEGRASE INHIBITORS Merck & Co., Inc. (US) 2004-10-20 EP disclosed
WO-2003062204-A1 HYDROXYNAPHTHYRIDINONE CARBOXAMIDES USEFUL AS HIV INTEGRASE INHIBITORS MERCK & CO., INC. (US) 2003-07-31 WO 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-2002030931-A2 AZA- AND POLYAZA-NAPHTHALENYL CARBOXAMIDES USEFUL AS HIV INTEGRASE INHIBITORS MERCK & CO., INC. (US) 2002-04-18 WO 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 (3 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-20050119482-A1 Hydroxynaphthyridinone carboxamides useful as hiv integrase inhibitors HCLS1, POLR2A, CCNT1 EPAS1 2174/4885PTGS2 3519/4885PTGS1 3082/4885
US-20030055071-A1 Aza- and polyaza-naphthalenyl carboxamides useful as HIV integrase inhibitors POLI, DUT, NAAA EPAS1 2134/4885PTGS2 3132/4885PTGS1 3062/4885
US-20050176718-A1 Aza- and polyaza-naphthalenyl carboxamides useful as HIV integrase inhibitors POLI, DUT, NAAA EPAS1 2134/4885PTGS2 3132/4885PTGS1 3062/4885

“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.