SCHEMBL1053904

SCHEMBL1053904

CS(=O)(=O)c1cnc2[nH]cc(Cc3cc(F)c(OCc4nc5ccccc5[nH]4)cc3F)c2c1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 9/20 0.40
RAB9A P51151 9/20 0.40
SMN1; SMN2 Q16637 8/20 0.40
TP53 P04637 4/20 0.37
ALDH1A1 P00352 3/20 0.37
TSHR P16473 1/20 0.36
HTT P42858 3/20 0.36
MAPK1 P28482 2/20 0.36
LMNA P02545 2/20 0.36
MEN1 O00255 1/20 0.36
GAA P10253 1/20 0.36
KMT2A Q03164 1/20 0.36
MAPT P10636 2/20 0.36
HPGD P15428 1/20 0.36
CNR1 P21554 1/20 0.36
GPR55 Q9Y2T6 1/20 0.36

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
SCHEMBL1050213 0.93 NPC1 (0.45) NPC1RAB9ASMN1; SMN2TP53ALDH1A1
SCHEMBL1053841 0.86 NPC1 (0.44) NPC1RAB9ASMN1; SMN2TP53TSHR
SCHEMBL1054546 0.86 NPC1 (0.47) NPC1RAB9ASMN1; SMN2TP53ALDH1A1
SCHEMBL1051935 0.85 NPC1 (0.43) NPC1RAB9ASMN1; SMN2TP53ALDH1A1
SCHEMBL12929902 0.83 NPC1 (0.39) NPC1RAB9ASMN1; SMN2TP53ALDH1A1
SCHEMBL1053929 0.83 NPC1 (0.41) NPC1RAB9ASMN1; SMN2TP53ALDH1A1
SCHEMBL1054381 0.83 NPC1 (0.42) NPC1RAB9ASMN1; SMN2TP53ALDH1A1
SCHEMBL856575 0.83 NPC1 (0.47) NPC1RAB9ASMN1; SMN2TP53TSHR
SCHEMBL1050305 0.81 ALK (0.46)
SCHEMBL1050796 0.81 NPC1 (0.49) NPC1RAB9ASMN1; SMN2TP53ALDH1A1

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 11 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 claimed
US-20080221148-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC 2008-09-11 US claimed
US-20230020356-A1 METHODS OF STRATIFYING AND TREATING A SUB-POPULATION OF INFLAMMATORY BOWEL DISEASE PATIENTS CEDARS-SINAI MEDICAL CENTER 2023-01-19 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
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

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 NPC1 2367/4885RAB9A 1597/4885SMN1; SMN2 1839/4885

“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.