SCHEMBL13385754

SCHEMBL13385754

Cc1cnc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)o1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 3/20 0.44
S1PR1 P21453 5/20 0.40
S1PR3 Q99500 2/20 0.40
IKBKB O14920 1/20 0.38
NPC1 O15118 1/20 0.38
HTT P42858 1/20 0.38
RAB9A P51151 1/20 0.38
RXRA P19793 1/20 0.37
RXRB P28702 1/20 0.37
PDE2A O00408 2/20 0.37
MAPT P10636 1/20 0.35
AGBL2 Q5U5Z8 1/20 0.35
KDM1A O60341 1/20 0.34
MET P08581 1/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
CYP1A2 P05177 1/20 0.33
POLB P06746 1/20 0.33
CYP2C9 P11712 1/20 0.33
HPGD P15428 1/20 0.33

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
SCHEMBL2431683 0.83 RAB9A (0.56) NOTUMIKBKBNPC1HTTRAB9A
SCHEMBL10222183 0.82 NPC1 (0.46) NOTUMIKBKBNPC1RAB9APDE2A
SCHEMBL17149175 0.73 EDNRB (0.36) NPC1RAB9AMETMEN1KMT2A
SCHEMBL25451015 0.68 KIF11 (0.51) NOTUMNPC1HTTRAB9ARXRA
SCHEMBL26375533 0.68 IKBKB (0.41) NOTUMS1PR1S1PR3IKBKBNPC1
SCHEMBL1435942 0.68 NPC1 (0.52) NOTUMNPC1RAB9AMETMEN1
SCHEMBL13680631 0.68 SCN10A (0.54) NOTUMNPC1RAB9ASMN1; SMN2NPSR1
SCHEMBL10094745 0.68 LMNA (0.62) S1PR1S1PR3NPC1RAB9AMAPT
SCHEMBL13183698 0.67 NPC1 (0.58) NOTUMNPC1RAB9AMAPTMEN1
SCHEMBL734554 0.67 TSHR (0.59) NOTUMNPC1RAB9AMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7700637-B2 Organic compounds NOVARTIS AG (CH) 2010-04-20 US disclosed
US-20090118160-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE BACH ANDREW THOMAS 2009-05-07 US disclosed
US-20070004704-A1 Such as 6-Methyl-2-[4-(5-methyl-2-phenyl-oxazol-4-ylmethoxy)-benzenesulfonylamino]-benzoic acid which binds Peroxisome Proliferator-Activated Receptors; conditions in which impaired glucose tolerance, hyperglycemia and insulin resistance are implicated, such as type-1 and type-2 diabetes, and Syndrome X NOVARTIS AG (CH) 2007-01-04 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 (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-20090118160-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE PPARG, PPARA, PPARD NOTUM 2236/4885S1PR1 843/4885S1PR3 1319/4885
US-20070004704-A1 Such as 6-Methyl-2-[4-(5-methyl-2-phenyl-oxazol-4-ylmethoxy)-benzenesulfonylamino]-benzoic acid which binds Peroxisome Proliferator-Activated Receptors; conditions in which impaired glucose tolerance, hyperglycemia and insulin resistance are implicated, such as type-1 and type-2 diabetes, and Syndrome X PPARG, GPR119, PPARA NOTUM 3964/4885S1PR1 1889/4885S1PR3 2961/4885

“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.