SCHEMBL3301007

SCHEMBL3301007

CS(=O)(=O)c1ccc(CN[C]=O)cc1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.45
NR1H4 Q96RI1 1/20 0.45
ENPP2 Q13822 2/20 0.42
KCNJ1 P48048 1/20 0.42
KCNH2 Q12809 1/20 0.42
GLA P06280 1/20 0.41
PTGS2 P35354 7/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39
CNR1 P21554 1/20 0.39
CYP19A1 P11511 1/20 0.39
NAMPT P43490 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
SCHEMBL3303573 0.81 CA2 (0.61) CA12CA1CA2CA9
SCHEMBL1251842 0.78 EPHX2 (0.49) EPHX2NR1H4ENPP2PTGS2CA12
SCHEMBL4573368 0.76 EPHX2 (0.47) EPHX2NR1H4ENPP2PTGS2CA12
SCHEMBL1253851 0.76 EPHX2 (0.47) EPHX2NR1H4ENPP2GLAPTGS2
Hydrochloric Acid SCHEMBL1287377 0.76 KDM4E (0.50) EPHX2NR1H4ENPP2PTGS2CA12
SCHEMBL515532 0.75 SMN1; SMN2 (0.46) CA12CA1CA2CA9
SCHEMBL4633460 0.75 LMNA (0.47) CA2
SCHEMBL14508573 0.74 EPHX2 (0.46) EPHX2NR1H4ENPP2CA12CA1
SCHEMBL6594740 0.74 ENPP2 (0.46) EPHX2NR1H4ENPP2KCNJ1KCNH2
SCHEMBL21165326 0.73 CA2 (0.66) GLAPTGS2CA12CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10919874-B2 Metalloenzyme inhibitor compounds NQP 1598, LTD. (KY) 2021-02-16 US disclosed
US-20190382370-A1 METALLOENZYME INHIBITOR COMPOUNDS NQP 1598 LTD (KY) 2019-12-19 US disclosed
US-10370354-B2 Metalloenzyme inhibitor compounds NQP 1598, LTD. (KY) 2019-08-06 US disclosed
US-20180222884-A1 METALLOENZYME INHIBITOR COMPOUNDS NQP 1598, LTD. (KY) 2018-08-09 US disclosed
EP-3351541-A1 METALLOENZYME INHIBITOR COMPOUNDS Viamet Pharmaceuticals (NC), Inc. (US) 2018-07-25 EP disclosed
US-9938255-B2 Metalloenzyme inhibitor compounds VPS-3, INC. (US) 2018-04-10 US disclosed
EP-2788343-B1 METALLOENZYME INHIBITOR COMPOUNDS VIAMET PHARMACEUTICALS (NC) INC (US) 2018-02-28 EP disclosed
US-20160214959-A1 METALLOENZYME INHIBITOR COMPOUNDS NQP 1598, LTD. (KY) 2016-07-28 US disclosed
US-9309273-B2 Metalloenzyme inhibitor compounds VIAMET PHARMACEUTICALS, INC. (US) 2016-04-12 US disclosed
US-20140349973-A1 METALLOENZYME INHIBITOR COMPOUNDS VIAMET PHARMACEUTICALS, INC (US) 2014-11-27 US disclosed
WO-2013090210-A1 METALLOENZYME INHIBITOR COMPOUNDS VIAMET PHARMACEUTICALS, INC. (US) 2013-06-20 WO disclosed
US-20100099676-A1 SULFONYLUREA DERIVATIVE CAPABLE OF SELECTIVELY INHIBITING MMP-13 SHIONOGI & CO., LTD. (JP) 2010-04-22 US disclosed
EP-2128134-A1 SULFONYLUREA DERIVATIVE CAPABLE OF SELECTIVELY INHIBITING MMP-13 Shionogi&Co., Ltd. (JP) 2009-12-02 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 (10 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 EPHX2 2979/4885NR1H4 3591/4885ENPP2 4574/4885
US-20190382370-A1 METALLOENZYME INHIBITOR COMPOUNDS MMEL1, GAA, GPX1 EPHX2 1133/4885NR1H4 985/4885ENPP2 227/4885
US-10919874-B2 Metalloenzyme inhibitor compounds MMEL1, GAA, GPX1 EPHX2 1133/4885NR1H4 985/4885ENPP2 227/4885
US-20100099676-A1 SULFONYLUREA DERIVATIVE CAPABLE OF SELECTIVELY INHIBITING MMP-13 MMP13, MMP3, MMP26 EPHX2 3735/4885NR1H4 3910/4885ENPP2 1349/4885
US-20060052361-A1 Nitrogen-containing fused ring compound and use thereof as HIV integrase inhibitor NNMT, PNP, DNTT EPHX2 2979/4885NR1H4 3591/4885ENPP2 4574/4885
US-20080161311-A1 Nitrogen-containing fused ring compound and use thereof as HIV integrase inhibitor DNTT, PNP, NNMT EPHX2 3317/4885NR1H4 3963/4885ENPP2 4503/4885
US-10370354-B2 Metalloenzyme inhibitor compounds MMEL1, GPX1, MPO EPHX2 1202/4885NR1H4 1110/4885ENPP2 221/4885
US-20180222884-A1 METALLOENZYME INHIBITOR COMPOUNDS MMEL1, GPX1, MPO EPHX2 1202/4885NR1H4 1110/4885ENPP2 221/4885
US-20140349973-A1 METALLOENZYME INHIBITOR COMPOUNDS MMEL1, GPX1, MPO EPHX2 1202/4885NR1H4 1110/4885ENPP2 221/4885
US-20160214959-A1 METALLOENZYME INHIBITOR COMPOUNDS MMEL1, GPX1, MPO EPHX2 1202/4885NR1H4 1110/4885ENPP2 221/4885

“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.