SCHEMBL162450

SCHEMBL162450

O=C(O)C(F)(F)c1ccc(F)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNN4 O15554 8/20 0.50
GRB2 P62993 1/20 0.50
CES2 O00748 1/20 0.42
CES1 P23141 1/20 0.42
BCL2L1 Q07817 1/20 0.41
BAD Q92934 1/20 0.41
RAB9A P51151 3/20 0.41
NPC1 O15118 2/20 0.41
MEN1 O00255 1/20 0.41
MAPT P10636 1/20 0.41
XBP1 P17861 1/20 0.41
MAPK1 P28482 1/20 0.41
HTT P42858 1/20 0.41
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CYP1A1 P04798 1/20 0.41
CYP1B1 Q16678 1/20 0.41
KCNE1 P15382 1/20 0.41
KCNQ1 P51787 1/20 0.41
PLOD2 O00469 1/20 0.39

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
SCHEMBL16595068 0.94 BCL2L1 (0.52) KCNN4GRB2CES2CES1BCL2L1
SCHEMBL13199203 0.90 GRB2 (0.57) GRB2CES2CES1RAB9ANPC1
SCHEMBL23588301 0.83 CES2 (0.56) GRB2CES2CES1RAB9ANPC1
SCHEMBL13199251 0.83 GRB2 (0.52) GRB2CES2CES1BCL2L1BAD
SCHEMBL28759803 0.81 ESR1 (0.50) GRB2MAPTHTTCYP1A1CYP1B1
SCHEMBL4028655 0.81 KCNN4 (0.50) KCNN4CES2CES1BCL2L1BAD
SCHEMBL354556 0.80 CYP1A2 (0.52) KCNN4GRB2CES2CES1RAB9A
SCHEMBL164346 0.79 KCNN4 (0.48) KCNN4CES2CES1RAB9ANPC1
SCHEMBL11091284 0.79 KCNN4 (0.65) KCNN4CES2CES1RAB9ANPC1
SCHEMBL4312243 0.79 MIF (0.50) GRB2CES2CES1MEN1MAPT

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 87 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12474342-B2 Methods for treating cancer and the use of biomarkers as a predictor of clinical sensitivity to therapies CELGENE CORPORATION (US) 2025-11-18 US disclosed
CN-118909031-B Anti-coronavirus compounds, compositions and uses thereof 上海柯君医药科技有限公司 2025-05-27 CN disclosed
WO-2025072539-A1 AMINO ACID COMPOUNDS WITH NITROGEN LINKERS AND USES THEREOF PLIANT THERAPEUTICS, INC. (US) 2025-04-03 WO disclosed
CN-118909031-A Anti-coronavirus compounds, compositions and uses thereof 上海柯君医药科技有限公司 2024-11-08 CN disclosed
CN-118488949-A Anti-coronavirus compounds, compositions and uses thereof 上海柯君医药科技有限公司 2024-08-13 CN disclosed
CN-118390080-A Method for preparing fluorine-containing aromatic hydrocarbon carboxylic acid by electrocatalytic fixation of carbon dioxide 上海第二工业大学 2024-07-26 CN disclosed
CN-111170991-B Antiproliferative compounds and methods of synthesis thereof 细胞基因公司 2023-10-31 CN disclosed
EP-3594211-B1 ANTIPROLIFERATIVE COMPOUNDS AND METHODS OF USE THEREOF CELGENE CORP (US) 2023-10-25 EP disclosed
EP-3808346-B1 ANTIPROLIFERATIVE COMPOUNDS FOR USE IN THE TREATMENT OF LEUKEMIA CELGENE CORP (US) 2023-07-19 EP disclosed
WO-2023125825-A1 ANTICORONVIRAL COMPOUNDS AND COMPOSITIONS AND USES THEREOF SHANGHAI CUREGENE PHARMACEUTICAL CO., LTD. (CN) 2023-07-06 WO disclosed
WO-2010002472-A1 JAK KINASE MODULATING COMPOUNDS AND METHODS OF USE THEREOF AMBIT BIOSCIENCES CORPORATION (US) 2010-01-07 WO disclosed
US-20090124600-A1 N-Alkyl-Azacycloalkyl NMDA/NR2B Antagonists MERCK SHARP & DOHME CORP. 2009-05-14 US disclosed
EP-1874318-A2 N-ALKYL-AZACYCLOALKYL NMDA/NR2B ANTAGONISTS Merck & Co., Inc. (US) 2008-01-09 EP disclosed
WO-2006113471-A2 N-ALKYL-AZACYCLOALKYL NMDA/NR2B ANTAGONISTS MERCK & CO., INC. (US) 2006-10-26 WO disclosed
EP-1644362-A2 INDOLINONE HYDRAZIDES AS C-MET INHIBITORS Sugen, Inc. (US) 2006-04-12 EP disclosed
US-20060009493-A1 Indolinone hydrazides as c-Met inhibitors SUGEN, INC. 2006-01-12 US disclosed
WO-2005005378-A2 INDOLINONE HYDRAZIDES AS C-MET INHIBITORS SUGEN, INC. (US) 2005-01-20 WO disclosed
EP-0117100-B1 TRIAZOLE ANTIFUNGAL AGENTS Pfizer Limited (GB) 1986-12-10 EP disclosed
US-4616026-A Antifungal 2-aryl-1,1-difluoro-3-(1H-1,2,4-triazol-1-yl)2-propanols PFIZER INC. (US) 1986-10-07 US disclosed
EP-0117100-A1 Triazole antifungal agents Pfizer Limited (GB) 1984-08-29 EP 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 (3 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-12474342-B2 Methods for treating cancer and the use of biomarkers as a predictor of clinical sensitivity to therapies TSG101, BRCA1, TP53 KCNN4 4762/4885GRB2 1560/4885CES2 1394/4885
US-20090124600-A1 N-Alkyl-Azacycloalkyl NMDA/NR2B Antagonists GRIN2B, GRIN2A, GRIN1 KCNN4 440/4885GRB2 1283/4885CES2 3659/4885
US-20060009493-A1 Indolinone hydrazides as c-Met inhibitors MET, IGF1R, ROS1 KCNN4 2348/4885GRB2 697/4885CES2 2639/4885

“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.