SCHEMBL2223680

SCHEMBL2223680

CC(C)NS(=O)(=O)c1c[c]ccc1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.42
SMN1; SMN2 Q16637 3/20 0.40
ALDH1A1 P00352 5/20 0.40
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
GFER P55789 1/20 0.38
HTR2B P41595 1/20 0.37
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
LMNA P02545 2/20 0.36
KDM4E B2RXH2 1/20 0.36
BRD4 O60885 1/20 0.35
CA12 O43570 1/20 0.35
MMP2 P08253 1/20 0.35
CA9 Q16790 1/20 0.35
CA14 Q9ULX7 1/20 0.35
ADAMTS4 O75173 1/20 0.35

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
SCHEMBL27480558 0.80 NPSR1 (0.49) NPSR1ALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL1043396 0.79 SMN1; SMN2 (0.45) SMN1; SMN2ALDH1A1LMNACA12CA9
SCHEMBL11313543 0.79 CA1 (0.35) SMN1; SMN2ALDH1A1KMT2AMEN1LMNA
SCHEMBL1570351 0.77 NPSR1 (0.47) NPSR1SMN1; SMN2ALDH1A1GFERKMT2A
SCHEMBL945862 0.77 SMN1; SMN2 (0.61) NPSR1SMN1; SMN2ALDH1A1CYP1A2CYP2C9
SCHEMBL4315277 0.76 LMNA (0.31) SMN1; SMN2LMNAKDM4E
SCHEMBL28435387 0.76 MEN1 (0.38) SMN1; SMN2ALDH1A1CYP1A2GFERKMT2A
SCHEMBL1419231 0.75 ALDH1A1 (0.50) SMN1; SMN2ALDH1A1CYP2C9KMT2ALMNA
SCHEMBL3107054 0.75 MAPT (0.54) SMN1; SMN2ALDH1A1CYP2C9KMT2AMEN1
SCHEMBL11512348 0.75 SMN1; SMN2 (0.59) NPSR1SMN1; SMN2ALDH1A1CYP1A2CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2668182-B1 IL17 AND IFN-GAMMA INHIBITION FOR THE TREATMENT OF AUTOIMMUNE INFLAMMATION 4SC DISCOVERY GMBH (DE) 2017-11-01 EP claimed
EP-2668183-B1 IL17 AND IFN-GAMMA INHIBITION FOR THE TREATMENT OF AUTOIMMUNE INFLAMMATION 4SC DISCOVERY GMBH (DE) 2017-11-01 EP claimed
EP-2668183-A1 IL17 AND IFN-GAMMA INHIBITION FOR THE TREATMENT OF AUTOIMMUNE INFLAMMATION 4SC Discovery GmbH (DE) 2013-12-04 EP claimed
US-8354436-B2 IL17 and IFN-gamma inhibition for the treatment of autoimmune inflammation 4SC DISCOVERY GMBH (DE) 2013-01-15 US claimed
US-20120196861-A1 IL17 AND IFN-GAMMA INHIBITION FOR THE TREATMENT OF AUTOIMMUNE INFLAMMATION 4SC DISCOVERY GMBH (DE) 2012-08-02 US claimed
US-20120196862-A1 IL17 AND IFN-GAMMA INHIBITION FOR THE TREATMENT OF AUTOIMMUNE INFLAMMATION 4SC DISCOVERY GMBH (DE) 2012-08-02 US claimed
WO-2012101263-A1 IL17 AND IFN-GAMMA INHIBITION FOR THE TREATMENT OF AUTOIMMUNE INFLAMMATION 4SC DISCOVERY GMBH (DE) 2012-08-02 WO claimed
EP-2668182-B1 IL17 AND IFN-GAMMA INHIBITION FOR THE TREATMENT OF AUTOIMMUNE INFLAMMATION 4SC DISCOVERY GMBH (DE) 2017-11-01 EP disclosed
EP-2668183-B1 IL17 AND IFN-GAMMA INHIBITION FOR THE TREATMENT OF AUTOIMMUNE INFLAMMATION 4SC DISCOVERY GMBH (DE) 2017-11-01 EP disclosed
CN-103476771-B IL17 and the IFN-γ being used for the treatment of autoimmune inflammation suppresses 4SC DISCOVERY GMBH (DE) 2015-12-23 CN disclosed
CN-103459385-B IL17 and the IFN-γ being used for the treatment of autoimmune inflammation suppresses 4SC DISCOVERY GMBH (DE) 2015-08-05 CN disclosed
EP-2668183-A1 IL17 AND IFN-GAMMA INHIBITION FOR THE TREATMENT OF AUTOIMMUNE INFLAMMATION 4SC Discovery GmbH (DE) 2013-12-04 EP disclosed
EP-2668182-A1 IL17 AND IFN-GAMMA INHIBITION FOR THE TREATMENT OF AUTOIMMUNE INFLAMMATION 4SC Discovery GmbH (DE) 2013-12-04 EP disclosed
EP-2042502-A1 Nitrogen-containing fused ring compound and use thereof as HIV integrase inhibitor JAPAN TOBACCO INC. (JP) 2009-04-01 EP disclosed
EP-1544199-B1 NITROGENOUS CONDENSED-RING COMPOUND AND USE THEREOF AS HIV INTEGRASE INHIBITOR JAPAN TOBACCO INC (JP) 2008-10-15 EP disclosed
US-20080161311-A1 Nitrogen-containing fused ring compound and use thereof as HIV integrase inhibitor JAPAN TOBACCO INC. 2008-07-03 US disclosed
US-7211572-B2 Nitrogen-containing fused ring compound and use thereof as HIV integrase inhibitor JAPAN TOBACCO INC. (JP) 2007-05-01 US disclosed
US-20060052361-A1 Nitrogen-containing fused ring compound and use thereof as HIV integrase inhibitor JAPAN TOBACCO INC. 2006-03-09 US disclosed
EP-1544199-A1 NITROGENOUS CONDENSED-RING COMPOUND AND USE THEREOF AS HIV INTEGRASE INHIBITOR JAPAN TOBACCO INC. (JP) 2005-06-22 EP disclosed
US-20050054645-A1 Nitrogen-containing fused ring compound and use thereof as HIV integrase inhibitor JAPAN TOBACCO INC. (JP) 2005-03-10 US 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-20050054645-A1 Nitrogen-containing fused ring compound and use thereof as HIV integrase inhibitor NNMT, PNP, DNTT NPSR1 3539/4885SMN1; SMN2 2501/4885ALDH1A1 2068/4885
US-20120196862-A1 IL17 AND IFN-GAMMA INHIBITION FOR THE TREATMENT OF AUTOIMMUNE INFLAMMATION IFNG, IL17A, IL2 NPSR1 2038/4885SMN1; SMN2 3903/4885ALDH1A1 1434/4885
US-20120196861-A1 IL17 AND IFN-GAMMA INHIBITION FOR THE TREATMENT OF AUTOIMMUNE INFLAMMATION IFNG, IL17A, IL2 NPSR1 2038/4885SMN1; SMN2 3903/4885ALDH1A1 1434/4885
US-20060052361-A1 Nitrogen-containing fused ring compound and use thereof as HIV integrase inhibitor NNMT, PNP, DNTT NPSR1 3539/4885SMN1; SMN2 2501/4885ALDH1A1 2068/4885
US-20080161311-A1 Nitrogen-containing fused ring compound and use thereof as HIV integrase inhibitor DNTT, PNP, NNMT NPSR1 2940/4885SMN1; SMN2 2251/4885ALDH1A1 1706/4885

“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.