SCHEMBL2625767

SCHEMBL2625767

Cc1ccc(OCC(C)(C)C)c(Cl)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.51
L3MBTL1 Q9Y468 7/20 0.51
RAB9A P51151 4/20 0.51
ATM Q13315 1/20 0.51
HPGD P15428 4/20 0.47
NPC1 O15118 2/20 0.47
CYP2C9 P11712 3/20 0.47
CYP2C19 P33261 3/20 0.47
NPSR1 Q6W5P4 2/20 0.47
MEN1 O00255 2/20 0.47
MAPK1 P28482 2/20 0.47
KMT2A Q03164 2/20 0.47
ALDH1A1 P00352 2/20 0.47
USP2 O75604 1/20 0.47
POLB P06746 1/20 0.47
ALOX12 P18054 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
MRGPRX4 Q96LA9 1/20 0.44

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
SCHEMBL17815713 0.86 MAPT (0.49) MAPTL3MBTL1RAB9AATMHPGD
SCHEMBL8043659 0.86 MAPT (0.49) MAPTL3MBTL1RAB9AATMHPGD
SCHEMBL20820452 0.86 MAPT (0.49) MAPTL3MBTL1RAB9AATMHPGD
SCHEMBL30632022 0.84 TSHR (0.50) L3MBTL1RAB9AHPGDNPC1NPSR1
SCHEMBL21404257 0.84 TSHR (0.50) L3MBTL1RAB9AHPGDNPC1NPSR1
SCHEMBL8279777 0.84 MAPT (0.50) MAPTL3MBTL1RAB9AATMHPGD
SCHEMBL13660655 0.83 TDP1 (0.51) MAPTRAB9AHPGDNPC1CYP2C19
SCHEMBL12958155 0.82 MAPT (0.56) MAPTL3MBTL1RAB9AATMHPGD
SCHEMBL17446177 0.81 CYP2C9 (0.65) MAPTRAB9AHPGDNPC1CYP2C9
SCHEMBL11959661 0.81 L3MBTL1 (0.49) MAPTL3MBTL1RAB9AHPGDNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8586589-B2 Piperidine and piperazine phenyl sulfonamides as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-11-19 US disclosed
US-8536195-B2 Bicyclic derivatives as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-09-17 US disclosed
US-8492403-B2 Bicyclic derivatives as modulators of voltage gated ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-07-23 US disclosed
US-20130131109-A1 BICYCLIC DERIVATIVES AS MODULATORS OF VOLTAGE GATED ION CHANNELS VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-05-23 US disclosed
US-20130084639-A1 Bicyclic Derivatives as Modulators of Ion Channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-04-04 US disclosed
US-20130035310-A1 Piperidine and Piperazine Phenyl Sulfonamides as Modulators of Ion Channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-02-07 US disclosed
US-8362032-B2 Bicyclic derivatives as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-01-29 US disclosed
US-8357702-B2 Bicyclic derivatives as modulators of voltage gated ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-01-22 US disclosed
US-20120308606-A1 BICYCLIC DERIVATIVES AS MODULATORS OF VOLTAGE GATED ION CHANNELS VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-12-06 US disclosed
US-8309587-B2 Piperidine and piperazine phenyl sulphonamides as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-11-13 US disclosed
US-8236829-B2 Bicyclic derivatives as modulators of voltage gated ION channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-08-07 US disclosed
US-20120178713-A1 PHENYL SULPHONAMIDES AS MODULATORS OF ION CHANNELS VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-07-12 US disclosed
US-8163720-B2 Pyrrolidinyl phenyl sulphonamides as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-04-24 US disclosed
US-20110112156-A1 Bicyclic Derivatives as Modulators of Voltage Gated ION Channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-05-12 US disclosed
US-20110082117-A1 PHENYL SULFONAMIDES AS MODULATORS OF ION CHANNELS VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-04-07 US disclosed
US-20110059965-A1 BICYCLIC DERIVATIVES AS MODULATORS OF ION CHANNELS VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-03-10 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 (8 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-20120178713-A1 PHENYL SULPHONAMIDES AS MODULATORS OF ION CHANNELS TRPV1, TRPA1, TRPV5 MAPT 2237/4885L3MBTL1 3502/4885RAB9A 3071/4885
US-20120308606-A1 BICYCLIC DERIVATIVES AS MODULATORS OF VOLTAGE GATED ION CHANNELS TRPV1, TRPV2, TRPV3 MAPT 2617/4885L3MBTL1 3313/4885RAB9A 1514/4885
US-20110082117-A1 PHENYL SULFONAMIDES AS MODULATORS OF ION CHANNELS TRPV1, KCNJ2, TRPA1 MAPT 2194/4885L3MBTL1 4229/4885RAB9A 3236/4885
US-20130131109-A1 BICYCLIC DERIVATIVES AS MODULATORS OF VOLTAGE GATED ION CHANNELS TRPV1, TRPV2, TRPV3 MAPT 2617/4885L3MBTL1 3313/4885RAB9A 1514/4885
US-20130084639-A1 Bicyclic Derivatives as Modulators of Ion Channels KCNJ2, TRPV1, KCNN3 MAPT 1655/4885L3MBTL1 4292/4885RAB9A 2202/4885
US-20110059965-A1 BICYCLIC DERIVATIVES AS MODULATORS OF ION CHANNELS CACNA1C, CACNA1B, CACNA1D MAPT 2309/4885L3MBTL1 3496/4885RAB9A 2051/4885
US-20130035310-A1 Piperidine and Piperazine Phenyl Sulfonamides as Modulators of Ion Channels TRPV1, TRPV5, TRPA1 MAPT 3129/4885L3MBTL1 4537/4885RAB9A 3603/4885
US-20110112156-A1 Bicyclic Derivatives as Modulators of Voltage Gated ION Channels TRPV1, TRPV2, TRPV3 MAPT 2617/4885L3MBTL1 3313/4885RAB9A 1514/4885

“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.