Sugi Predict

Sugi Predict / Compounds / SCHEMBL1151540

SCHEMBL1151540

SCHEMBL1151540

Cc1ccc(F)cc1S(=O)(=O)N(C)C

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KCNJ6 P48051 8/20 0.57
▸ KCNJ3 P48549 8/20 0.57
▸ KCNJ5 P48544 7/20 0.57
▸ ALDH1A1 P00352 5/20 0.56
▸ PDE2A O00408 1/20 0.56
▸ PDE5A O76074 1/20 0.56
▸ CYP3A4 P08684 1/20 0.56
▸ ALOX15 P16050 1/20 0.56
▸ NFKB1 P19838 1/20 0.56
▸ APEX1 P27695 1/20 0.56
▸ PDE4A P27815 1/20 0.56
▸ BLM P54132 1/20 0.56
▸ PDE1B Q01064 1/20 0.56
▸ PMP22 Q01453 1/20 0.56
▸ PDE4B Q07343 1/20 0.56
▸ PDE4D Q08499 1/20 0.56
▸ PDE7A Q13946 1/20 0.56
▸ PDE1C Q14123 1/20 0.56
▸ PDE7B Q9NP56 1/20 0.56
▸ KMT2A Q03164 2/20 0.45

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
SCHEMBL1151222 0.79 KCNJ6 (0.43) KCNJ6KCNJ3KCNJ5ALDH1A1PDE2A
SCHEMBL2062378 0.79 ALDH1A1 (0.51) KCNJ6KCNJ3KCNJ5ALDH1A1PDE2A
SCHEMBL644251 0.78 DPP4 (0.44) KCNJ6KCNJ3KCNJ5ALDH1A1L3MBTL1
SCHEMBL13512891 0.78 KDM4E (0.46) KCNJ6KCNJ3KCNJ5ALDH1A1PDE2A
SCHEMBL4012814 0.78 MEP1B (0.49) ALDH1A1KMT2AMEP1BLMNAL3MBTL1
SCHEMBL9320587 0.77 ALDH1A1 (0.56) KCNJ6KCNJ3KCNJ5ALDH1A1PDE2A
SCHEMBL7213964 0.77 ALDH1A1 (0.56) KCNJ6KCNJ3KCNJ5ALDH1A1PDE2A
SCHEMBL7217939 0.77 KCNJ6 (0.61) KCNJ6KCNJ3KCNJ5ALDH1A1PDE2A
SCHEMBL7537342 0.77 ALDH1A1 (0.56) KCNJ6KCNJ3KCNJ5ALDH1A1PDE2A
SCHEMBL29451752 0.77 ALDH1A1 (0.56) KCNJ6KCNJ3KCNJ5ALDH1A1PDE2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2291377-B1 IMIDAZOPYRIMIDINONES AND USES THEREOF AVEXA LTD (AU) 2015-02-18 — — EP disclosed
EP-2759544-A1 Compounds having antiviral properties Avexa Limited (AU) 2014-07-30 — — EP disclosed
EP-2212324-B1 COMPOUNDS HAVING ANTIVIRAL PROPERTIES AVEXA LTD (AU) 2014-03-26 — — EP disclosed
US-8563562-B2 Compounds having antiviral properties AVEXA LIMITED (AU) 2013-10-22 — — US disclosed
US-8563562-B2 Compounds having antiviral properties AVEXA LIMITED (AU) 2013-10-22 — — US disclosed
US-8563562-B2 Compounds having antiviral properties AVEXA LIMITED (AU) 2013-10-22 — — US disclosed
US-8431581-B2 Imidazopyrimidines and uses thereof AVEXA LIMITED (AU) 2013-04-30 — — US disclosed
US-8431581-B2 Imidazopyrimidines and uses thereof AVEXA LIMITED (AU) 2013-04-30 — — US disclosed
US-8431581-B2 Imidazopyrimidines and uses thereof AVEXA LIMITED (AU) 2013-04-30 — — US disclosed
US-8426405-B2 Thiazopyrimidinones and uses thereof AVEXA LIMITED (AU) 2013-04-23 — — US disclosed
US-20060106007-A1 HIV integrase inhibitors: cyclic pyrimidinone compounds ROBERT BOSCH GMBH (DE) 2006-05-18 — — US disclosed
WO-2005118593-A1 BICYCLIC HETEROCYCLES AS HIV INTEGRASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2005-12-15 — — WO disclosed
US-20050267105-A1 Bicyclic heterocycles as HIV integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2005-12-01 — — US disclosed
US-20050256109-A1 HIV integrase inhibitors: cyclic pyrimidinone compounds BRISTOL-MYERS SQUIBB COMPANY 2005-11-17 — — US disclosed
WO-2005082909-A1 GLUCOCORTICOID RECEPTOR MODULATOR COMPOUNDS AND METHODS- UTILITY LIGAND PHARMACEUTICALS INCORPORATED (US) 2005-09-09 — — WO 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 (5 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-20060106007-A1 HIV integrase inhibitors: cyclic pyrimidinone compounds TYMP, TYMS, SAMHD1 KCNJ6 2228/4885KCNJ3 2160/4885KCNJ5 1462/4885
US-20050256109-A1 HIV integrase inhibitors: cyclic pyrimidinone compounds TYMP, TYMS, SAMHD1 KCNJ6 2228/4885KCNJ3 2160/4885KCNJ5 1462/4885
US-20030055071-A1 Aza- and polyaza-naphthalenyl carboxamides useful as HIV integrase inhibitors POLI, DUT, NAAA KCNJ6 4179/4885KCNJ3 4075/4885KCNJ5 3689/4885
US-20050176718-A1 Aza- and polyaza-naphthalenyl carboxamides useful as HIV integrase inhibitors POLI, DUT, NAAA KCNJ6 4179/4885KCNJ3 4075/4885KCNJ5 3689/4885
US-20050267105-A1 Bicyclic heterocycles as HIV integrase inhibitors CCNI, TYMP, IMPDH1 KCNJ6 2333/4885KCNJ3 2222/4885KCNJ5 1475/4885

“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.