SCHEMBL348533

SCHEMBL348533

Cc1ccc(S(=O)(=O)O)c(CCC2CC2)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADAMTS4 O75173 2/20 0.38
MMP2 P08253 2/20 0.38
MMP13 P45452 2/20 0.38
ADAM17 P78536 2/20 0.38
MMP14 P50281 1/20 0.38
HTR2A P28223 5/20 0.36
HTR2C P28335 5/20 0.36
GAA P10253 2/20 0.34
NPC1 O15118 2/20 0.34
HSD17B10 Q99714 1/20 0.34
PKM P14618 1/20 0.34
HTT P42858 1/20 0.34
EPHX2 P34913 4/20 0.33
CYP3A4 P08684 1/20 0.33
RORC P51449 1/20 0.33
CYP2D6 P10635 1/20 0.33
RAB9A P51151 1/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
CYP2C9 P11712 1/20 0.33

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
SCHEMBL5115513 0.90 NPC1 (0.38) ADAMTS4MMP2MMP13ADAM17MMP14
SCHEMBL3516007 0.86 ADAMTS4 (0.42) ADAMTS4MMP2MMP13ADAM17MMP14
SCHEMBL28886134 0.85 DRD2 (0.42) HTR2AHTR2C
SCHEMBL30823619 0.84 GAA (0.41) GAAHSD17B10MEN1ALDH1A1KMT2A
SCHEMBL1180196 0.84 GAA (0.41) GAAHSD17B10MEN1ALDH1A1KMT2A
SCHEMBL7526268 0.83 CYP2C9 (0.35) GAANPC1PKMHTTEPHX2
SCHEMBL8945001 0.83 CYP2C9 (0.35) GAANPC1PKMHTTEPHX2
SCHEMBL28624344 0.82 MCOLN3 (0.34) GAAHSD17B10EPHX2CYP2D6MEN1
SCHEMBL5718625 0.80 GAA (0.39) GAAHSD17B10HTTCYP3A4MEN1
SCHEMBL816601 0.80 GAA (0.39) GAAHSD17B10CYP3A4MEN1ALDH1A1

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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107098886-B Prazinone-containing quinazolinone PARP-1/2 inhibitor and preparation method, pharmaceutical composition and application thereof 中国医学科学院药物研究所 2020-07-14 CN disclosed
EP-2906539-B1 INHIBITORS OF VIRAL REPLICATION, THEIR PROCESS OF PREPARATION AND THEIR THERAPEUTICAL USES HIVIH (FR) 2017-06-21 EP disclosed
US-9475802-B2 Inhibitors of viral replication, their process of preparation and their therapeutical uses LABORATOIRE BIODIM (FR) 2016-10-25 US disclosed
US-20150274718-A1 Inhibitors of Viral Replication, Their Process of Preparation and Their Therapeutical Uses LABORATOIRE BIODIM (FR) 2015-10-01 US disclosed
EP-2906539-A1 INHIBITORS OF VIRAL REPLICATION, THEIR PROCESS OF PREPARATION AND THEIR THERAPEUTICAL USES LABORATOIRE BIODIM (FR) 2015-08-19 EP disclosed
WO-2014057103-A1 INHIBITORS OF VIRAL REPLICATION, THEIR PROCESS OF PREPARATION AND THEIR THERAPEUTICAL USES LABORATOIRE BIODIM (FR) 2014-04-17 WO disclosed
US-20140024583-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2014-01-23 US disclosed
US-8501746-B2 Organic compounds XENON PHARMACEUTICALS INC. (CA) 2013-08-06 US disclosed
US-8318949-B2 Organic compounds NOVARTIS AG (CH) 2012-11-27 US disclosed
US-20120014906-A1 ORGANIC COMPOUNDS XENON PHARMACEUTICALS INC. (CA) 2012-01-19 US disclosed
US-8049016-B2 Thiazole derivatives which inhibit stearoyl-CoA desaturase enzymes NOVARTIS AG (CH) 2011-11-01 US disclosed
WO-2007143597-A9 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2010-11-11 WO disclosed
EP-2029572-B1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2010-11-03 EP disclosed
US-20090264444-A1 Organic compounds XENON PHARMACEUTICALS INC. (CA) 2009-10-22 US disclosed
US-20090156615-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2009-06-18 US disclosed
EP-2029572-A2 ORGANIC COMPOUNDS Novartis AG (CH) 2009-03-04 EP disclosed
WO-2007143597-A2 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2007-12-13 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-20090156615-A1 ORGANIC COMPOUNDS SCD, SCD5, FADS2 ADAMTS4 2367/4885MMP2 1173/4885MMP13 1303/4885
US-20120014906-A1 ORGANIC COMPOUNDS SCD, SCD5, FADS2 ADAMTS4 2367/4885MMP2 1173/4885MMP13 1303/4885
US-20150274718-A1 Inhibitors of Viral Replication, Their Process of Preparation and Their Therapeutical Uses RPL35, EIF2AK2, MAVS ADAMTS4 4090/4885MMP2 1901/4885MMP13 3895/4885
US-20090264444-A1 Organic compounds SCD, SCD5, FADS2 ADAMTS4 2367/4885MMP2 1173/4885MMP13 1303/4885
US-20140024583-A1 ORGANIC COMPOUNDS SCD, SCD5, FADS2 ADAMTS4 2367/4885MMP2 1173/4885MMP13 1303/4885

“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.