SCHEMBL5015544

SCHEMBL5015544

OCCn1c(C(F)(F)F)nc2cc(F)ccc21

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 2/20 0.46
CYP2C19 P33261 2/20 0.46
CYP3A4 P08684 1/20 0.46
KMT2A Q03164 3/20 0.43
HTR3E A5X5Y0 1/20 0.42
HTR3B O95264 1/20 0.42
HTR3A P46098 1/20 0.42
HTR3D Q70Z44 1/20 0.42
HTR3C Q8WXA8 1/20 0.42
KDM4E B2RXH2 2/20 0.42
HTT P42858 1/20 0.42
MEN1 O00255 2/20 0.41
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
LMNA P02545 1/20 0.39
TSHR P16473 1/20 0.39
MAPT P10636 1/20 0.38
TBXA2R P21731 3/20 0.38
TP53 P04637 1/20 0.38
IRAK4 Q9NWZ3 1/20 0.38

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
SCHEMBL8340061 0.92 NUDT1 (0.46) CYP2C9CYP2C19CYP3A4KMT2AHTR3E
SCHEMBL5015559 0.85 KMT2A (0.53) CYP2C9CYP2C19KMT2AKDM4EHTT
SCHEMBL12968163 0.80 CYP2C9 (0.59) CYP2C9CYP2C19CYP3A4KMT2AKDM4E
SCHEMBL8694354 0.78 CYP2C9 (0.42) CYP2C9CYP2C19CYP3A4KMT2AKDM4E
SCHEMBL5015603 0.77 CNR2 (0.47) CYP2C9CYP2C19CYP3A4KMT2AHTT
SCHEMBL8337211 0.75 CNR2 (0.43) CYP2C9CYP2C19CYP3A4KMT2AKDM4E
SCHEMBL8336401 0.74 PKM (0.47)
SCHEMBL14331825 0.72 HDAC1 (0.53) CYP2C9CYP2C19CYP3A4TBXA2R
SCHEMBL8341001 0.71 MEN1 (0.36) CYP2C9CYP2C19CYP3A4KMT2AKDM4E
SCHEMBL29006852 0.71 TBXA2R (0.45) CYP2C19CYP3A4KMT2AHTR3AHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220073536-A1 METHODS OF TREATING OR PREVENTING AUTOIMMUNE DISEASES WITH 2,4-PYRIMIDINEDIAMINE COMPOUNDS RIGEL PHARMACEUTICALS, INC. (US) 2022-03-10 US disclosed
US-7456293-B2 Substituted carboxylic acid derivatives for the treatment of diabetes and lipid disorders, their preparation and use SK HOLDING CO., LTD (KR) 2008-11-25 US disclosed
EP-1869004-A1 SUBSTITUTED CARBOXYLIC ACID DERIVATIVES FOR THE TREATMENT OF DIABETES AND LIPID DISORDERS, THEIR PREPARATION AND USE SK Holdings Co., Ltd. (KR) 2007-12-26 EP disclosed
US-20060281802-A1 Substituted carboxylic acid derivatives for the treatment of diabetes and lipid disorders, their preparation and use SK BIOPHARMACEUTICALS CO., LTD. (KR) 2006-12-14 US disclosed
WO-2006104349-A1 SUBSTITUTED CARBOXYLIC ACID DERIVATIVES FOR THE TREATMENT OF DIABETES AND LIPID DISORDERS, THEIR PREPARATION AND USE SK HOLDINGS CO., LTD. (KR) 2006-10-05 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 (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-20220073536-A1 METHODS OF TREATING OR PREVENTING AUTOIMMUNE DISEASES WITH 2,4-PYRIMIDINEDIAMINE COMPOUNDS SSB, TPMT, ADAR CYP2C9 4110/4885CYP2C19 4411/4885CYP3A4 4101/4885
US-20060281802-A1 Substituted carboxylic acid derivatives for the treatment of diabetes and lipid disorders, their preparation and use SLC5A1, CPT1A, GPR119 CYP2C9 259/4885CYP2C19 261/4885CYP3A4 467/4885

“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.