SCHEMBL1054802

SCHEMBL1054802

COc1cc(C=O)c(F)cc1OCc1nc2cc(S(=O)(=O)N(C)C)ccc2[nH]1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
ALDH1A1 P00352 10/20 0.38
HPGD P15428 5/20 0.38
KDM4E B2RXH2 4/20 0.38
LMNA P02545 7/20 0.37
MAPT P10636 6/20 0.37
HTT P42858 5/20 0.37
CNR1 P21554 1/20 0.37
GPR55 Q9Y2T6 1/20 0.37
MEN1 O00255 4/20 0.37
KMT2A Q03164 4/20 0.37
PKM P14618 1/20 0.37
MAPK1 P28482 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
TP53 P04637 2/20 0.35
NPSR1 Q6W5P4 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
ROCK2 O75116 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
SCHEMBL1080819 0.91 KDM4E (0.36) SMN1; SMN2ALDH1A1HPGDKDM4ELMNA
SCHEMBL1052529 0.83 RAB9A (0.44) SMN1; SMN2NPC1RAB9AALDH1A1HPGD
SCHEMBL856031 0.81 NPC1 (0.61) SMN1; SMN2NPC1RAB9AALDH1A1LMNA
SCHEMBL14148175 0.81 NPC1 (0.42) SMN1; SMN2NPC1RAB9AALDH1A1HPGD
SCHEMBL1080816 0.81 KDM4E (0.36) ALDH1A1HPGDKDM4ELMNAMAPT
SCHEMBL1050430 0.79 HTT (0.43) SMN1; SMN2NPC1RAB9AALDH1A1HPGD
SCHEMBL1049735 0.78 RAB9A (0.51) SMN1; SMN2NPC1RAB9AMAPTMEN1
SCHEMBL1050261 0.76 CYP2C9 (0.38) SMN1; SMN2NPC1RAB9AALDH1A1HPGD
SCHEMBL1054274 0.74 PKM (0.43) ALDH1A1HPGDKDM4ELMNAHTT
SCHEMBL856396 0.72 NPC1 (0.55) SMN1; SMN2NPC1RAB9AALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7872018-B2 Compounds and methods for kinase modulation, and indications therefor PLEXXIKON, INC. (US) 2011-01-18 US disclosed
US-7872018-B2 Compounds and methods for kinase modulation, and indications therefor PLEXXIKON, INC. (US) 2011-01-18 US disclosed
US-7872018-B2 Compounds and methods for kinase modulation, and indications therefor PLEXXIKON, INC. (US) 2011-01-18 US disclosed
EP-2094701-A2 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON, INC. (US) 2009-09-02 EP disclosed
US-20080221148-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC 2008-09-11 US disclosed
US-20080221148-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC 2008-09-11 US disclosed
US-20080221148-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC 2008-09-11 US disclosed
WO-2008080001-A2 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON, INC. (US) 2008-07-03 WO disclosed
WO-2008080015-A2 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON, INC. (US) 2008-07-03 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 (1 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-20080221148-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR MAP3K20, MAP3K13, MAP3K8 SMN1; SMN2 1839/4885NPC1 2367/4885RAB9A 1597/4885

“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.