SCHEMBL11296813

SCHEMBL11296813

CS(=O)(=O)c1cc(C(N)=O)cc(C(F)(F)F)c1

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.46
GPBAR1 Q8TDU6 12/20 0.44
MAPT P10636 2/20 0.43
GAA P10253 2/20 0.41
LMNA P02545 1/20 0.41
POLB P06746 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
KMT2A Q03164 1/20 0.41
AKR1C3 P42330 1/20 0.40

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
SCHEMBL30219246 1.00 CES2 (0.46) CES2GPBAR1MAPTGAALMNA
SCHEMBL9797089 0.86 CES2 (0.48) CES2MAPTGAALMNAPOLB
SCHEMBL11300330 0.85 GAA (0.44) CES2GPBAR1MAPTGAALMNA
SCHEMBL13513411 0.84 CES2 (0.47) CES2GPBAR1AKR1C3
SCHEMBL12097304 0.84 GPBAR1 (0.47) CES2GPBAR1MAPTAKR1C3
SCHEMBL30738524 0.84 GPBAR1 (0.47) CES2GPBAR1MAPTAKR1C3
SCHEMBL12097284 0.83 CES2 (0.46) CES2GPBAR1AKR1C3
SCHEMBL31443004 0.83 CES2 (0.46) CES2MAPTGAALMNAPOLB
SCHEMBL28522802 0.83 CES2 (0.46) CES2MAPTGAALMNAPOLB
SCHEMBL627995 0.81 CES2 (0.67) CES2MAPTGAALMNAPOLB

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
US-9550757-B2 Nuclear transport modulators and uses thereof Karyopharm Therapeutics Inc. (US) 2017-01-24 US disclosed
EP-2542089-B1 NUCLEAR TRANSPORT MODULATORS AND USES THEREOF KARYOPHARM THERAPEUTICS INC (US) 2017-01-18 EP disclosed
CN-103402359-B Olefin containing nuclear transport regulator and application thereof 卡尔约药物治疗公司 2016-08-24 CN disclosed
US-9303000-B2 Olefin containing nuclear transport modulators and uses thereof Karyopharm Therapeutics Inc. (US) 2016-04-05 US disclosed
US-9303000-B2 Olefin containing nuclear transport modulators and uses thereof Karyopharm Therapeutics Inc. (US) 2016-04-05 US disclosed
EP-2665362-B1 OLEFIN CONTAINING NUCLEAR TRANSPORT MODULATORS AND USES THEREOF KARYOPHARM THERAPEUTICS INC (US) 2016-03-30 EP disclosed
EP-2665362-B1 OLEFIN CONTAINING NUCLEAR TRANSPORT MODULATORS AND USES THEREOF KARYOPHARM THERAPEUTICS INC (US) 2016-03-30 EP disclosed
US-20140155370-A1 NUCLEAR TRANSPORT MODULATORS AND USES THEREOF Karyopharm Therapeutics Inc. 2014-06-05 US disclosed
EP-2665362-A1 OLEFIN CONTAINING NUCLEAR TRANSPORT MODULATORS AND USES THEREOF Karyopharm Therapeutics, Inc. (US) 2013-11-27 EP disclosed
CN-103402359-A Olefin containing nuclear transport modulators and uses thereof KARYOPHARM THERAPEUTICS INC 2013-11-20 CN disclosed
US-8513230-B2 Nuclear transport modulators and uses thereof KARYOPHARM THERAPEUTICS, INC. (US) 2013-08-20 US disclosed
US-20120258986-A1 OLEFIN CONTAINING NUCLEAR TRANSPORT MODULATORS AND USES THEREOF KARYOPHARM THERAPEUTICS, INC. (US) 2012-10-11 US disclosed
US-20120258986-A1 OLEFIN CONTAINING NUCLEAR TRANSPORT MODULATORS AND USES THEREOF KARYOPHARM THERAPEUTICS, INC. (US) 2012-10-11 US disclosed
WO-2012099807-A1 OLEFIN CONTAINING NUCLEAR TRANSPORT MODULATORS AND USES THEREOF KARYOPHARM THERAPEUTICS, INC. (US) 2012-07-26 WO disclosed
WO-2012099807-A1 OLEFIN CONTAINING NUCLEAR TRANSPORT MODULATORS AND USES THEREOF KARYOPHARM THERAPEUTICS, INC. (US) 2012-07-26 WO disclosed
US-20110275607-A1 NUCLEAR TRANSPORT MODULATORS AND USES THEREOF KARYOPHARM THERAPEUTICS, INC. (US) 2011-11-10 US disclosed
WO-2011109799-A1 NUCLEAR TRANSPORT MODULATIORS AND USES THEREOF KARYOPHARM THERAPEUTICS, INC. (US) 2011-09-09 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-20140155370-A1 NUCLEAR TRANSPORT MODULATORS AND USES THEREOF XPO1, NXF1, XPOT CES2 4629/4885GPBAR1 1077/4885MAPT 2798/4885
US-20110275607-A1 NUCLEAR TRANSPORT MODULATORS AND USES THEREOF XPO1, NXF1, XPOT CES2 4629/4885GPBAR1 1077/4885MAPT 2798/4885
US-20120258986-A1 OLEFIN CONTAINING NUCLEAR TRANSPORT MODULATORS AND USES THEREOF NXF1, NCOA1, XPO1 CES2 4724/4885GPBAR1 529/4885MAPT 2553/4885

“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.