SCHEMBL65756

SCHEMBL65756

O=C(COc1ccnc2c(C(F)(F)F)cccc12)N1CCC(S(=O)(=O)N2CCCC2)C1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.40
KDM4E B2RXH2 3/20 0.38
TLR7 Q9NYK1 1/20 0.38
PROKR1 Q8TCW9 1/20 0.37
ENPP2 Q13822 2/20 0.36
HPGD P15428 1/20 0.36
NCF1 P14598 1/20 0.36
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
RORC P51449 2/20 0.35
MAPT P10636 2/20 0.35
TSHR P16473 1/20 0.35
RECQL P46063 1/20 0.35
HSD17B10 Q99714 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
PTK2 Q05397 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
SCHEMBL66074 0.95 ALDH1A1 (0.42) ALDH1A1KDM4ETLR7ENPP2HPGD
SCHEMBL65670 0.84 KDM4E (0.41) ALDH1A1KDM4ETLR7ENPP2HPGD
SCHEMBL55921 0.84 KDM4E (0.41) ALDH1A1KDM4EENPP2HPGDNCF1
SCHEMBL66515 0.83 USP2 (0.41) ALDH1A1ENPP2KMT2ASMN1; SMN2
SCHEMBL66082 0.81 ENPP2 (0.41) ALDH1A1KDM4EENPP2HPGDKMT2A
SCHEMBL57774 0.80 USP2 (0.44) ALDH1A1KDM4EENPP2HPGDKMT2A
SCHEMBL8245959 0.77 CES1 (0.35) ALDH1A1ENPP2KMT2ASMN1; SMN2MAPT
SCHEMBL14683241 0.73 ENPP2 (0.53) ALDH1A1KDM4EENPP2HPGDKMT2A
SCHEMBL1091092 0.72 KDM4E (0.49) ALDH1A1KDM4EHPGDNCF1SMN1; SMN2
SCHEMBL16234628 0.72 GSK3A (0.45) NCF1RECQLHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8129546-B2 Derivatives for modulation of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-03-06 US disclosed
US-8129546-B2 Derivatives for modulation of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-03-06 US disclosed
US-8129546-B2 Derivatives for modulation of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-03-06 US disclosed
US-20110077269-A1 DERIVATIVES FOR MODULATION OF ION CHANNELS VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-03-31 US disclosed
US-20110077269-A1 DERIVATIVES FOR MODULATION OF ION CHANNELS VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-03-31 US disclosed
US-20110077269-A1 DERIVATIVES FOR MODULATION OF ION CHANNELS VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-03-31 US disclosed
US-7842819-B2 Derivatives for modulation of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-11-30 US disclosed
US-7842819-B2 Derivatives for modulation of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-11-30 US disclosed
US-7842819-B2 Derivatives for modulation of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-11-30 US disclosed
US-20070203122-A1 Derivatives for modulation of ion channels VERTEX PHARMACEUTICALS INCORPORATED 2007-08-30 US disclosed
US-20070203122-A1 Derivatives for modulation of ion channels VERTEX PHARMACEUTICALS INCORPORATED 2007-08-30 US disclosed
US-20070203122-A1 Derivatives for modulation of ion channels VERTEX PHARMACEUTICALS INCORPORATED 2007-08-30 US disclosed
WO-2007050522-A1 DERIVATIVES FOR MODULATION OF ION CHANNELS VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-05-03 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 (2 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-20070203122-A1 Derivatives for modulation of ion channels TRPV1, TRPA1, TRPV2 ALDH1A1 3010/4885KDM4E 3285/4885TLR7 3948/4885
US-20110077269-A1 DERIVATIVES FOR MODULATION OF ION CHANNELS TRPV1, TRPA1, TRPV2 ALDH1A1 3010/4885KDM4E 3285/4885TLR7 3948/4885

“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.