SCHEMBL14201637

SCHEMBL14201637

COc1nn(C)c(C(F)(F)F)c1Cl

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.36
CYP1A2 P05177 2/20 0.33
CYP2C9 P11712 2/20 0.33
CYP2C19 P33261 2/20 0.33
MEN1 O00255 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
PAX8 Q06710 1/20 0.33
RORC P51449 4/20 0.32
NPBWR1 P48145 1/20 0.32
MCHR1 Q99705 1/20 0.32
PTGS1 P23219 2/20 0.30
PTGS2 P35354 2/20 0.30
CYP3A4 P08684 1/20 0.30
TSHR P16473 1/20 0.30
THPO P40225 1/20 0.30
BLM P54132 1/20 0.30
PMP22 Q01453 1/20 0.30
HIF1A Q16665 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30

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
SCHEMBL21721723 0.82 NPC1 (0.33) NPC1RAB9APAX8
SCHEMBL21721012 0.78 NPC1 (0.31) NPC1RAB9APAX8
SCHEMBL3379670 0.77 SLC5A2 (0.32)
SCHEMBL9596094 0.75 CCR1 (0.39) KMT2ACYP2C19NPC1RAB9APTGS1
SCHEMBL16742671 0.75 LMNA (0.40) KMT2ANPC1PTGS2TSHRNPSR1
SCHEMBL16742792 0.74 PKM (0.52) CYP2C19RORCTSHR
SCHEMBL21737393 0.74 NPC1 (0.35) NPC1RAB9APAX8NPBWR1MCHR1
SCHEMBL13693058 0.74 ADORA2A (0.39) KMT2ACYP1A2CYP2C9CYP2C19MEN1
SCHEMBL13066536 0.74 KDM4E (0.38) KMT2ACYP1A2CYP2C9CYP2C19MEN1
SCHEMBL9596872 0.73 KDR (0.37) KMT2ACYP2C9CYP2C19CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080096903-A1 SULFAMOYL-CONTAINING DERIVATIVES AND USES THEREOF WYETH (US) 2008-04-24 US disclosed
US-20080096903-A1 SULFAMOYL-CONTAINING DERIVATIVES AND USES THEREOF WYETH (US) 2008-04-24 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 (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-20080096903-A1 SULFAMOYL-CONTAINING DERIVATIVES AND USES THEREOF HSP90AB2P, HSP90AB1, HSP90AA1 KMT2A 3819/4885CYP1A2 4408/4885CYP2C9 4418/4885

“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.