SCHEMBL3518451

SCHEMBL3518451

CC(Br)c1ccc(F)c(F)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 2/20 0.41
CES1 P23141 2/20 0.41
PDPK1 O15530 1/20 0.37
AKR1C3 P42330 2/20 0.37
AKR1C2 P52895 2/20 0.37
MME P08473 1/20 0.36
SHBG P04278 1/20 0.36
APP P05067 2/20 0.34
HSD11B1 P28845 1/20 0.34
PTGS1 P23219 3/20 0.33
MEN1 O00255 2/20 0.33
PTGS2 P35354 2/20 0.33
KMT2A Q03164 2/20 0.33
FABP2 P12104 1/20 0.33
TSHR P16473 1/20 0.33
AKR1C4 P17516 1/20 0.33
ADRA2B P18089 1/20 0.33
CHRM3 P20309 1/20 0.33
HTR2C P28335 1/20 0.33
DRD3 P35462 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
SCHEMBL30846954 1.00 CES2 (0.41) CES2CES1PDPK1AKR1C3AKR1C2
SCHEMBL30910946 0.82 KDM1A (0.36) AKR1C3AKR1C2SHBGPTGS1MEN1
SCHEMBL8299293 0.82 AKR1C3 (0.45) AKR1C3AKR1C2SHBGPTGS1MEN1
SCHEMBL4444491 0.82 PARP1 (0.41) SHBGADRA2BCYP1A2CYP2C9CYP2C19
SCHEMBL21831869 0.82 KDM1A (0.36) AKR1C3AKR1C2SHBGPTGS1MEN1
SCHEMBL27814751 0.80 SLC6A2 (0.45) MEN1PTGS2KMT2ATSHRSLC6A2
SCHEMBL27868723 0.80 APP (0.41) APPSLC6A2SLC6A3CYP1A2CYP2C9
SCHEMBL84476 0.80 LMNA (0.44) CES2CES1PDPK1AKR1C3AKR1C2
SCHEMBL16105634 0.80 CES2 (0.44) CES2CES1PDPK1AKR1C3AKR1C2
SCHEMBL4826865 0.80 CES2 (0.44) CES2CES1PDPK1AKR1C3AKR1C2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260000642-A1 PYRROLES AND IMIDAZOLES AS BET PROTEIN INHIBITORS TAY THERAPEUTICS LTD (GB) 2026-01-01 US disclosed
US-20250263370-A1 PYRROLES AND IMIDAZOLES AS BET PROTEIN INHIBITORS Tay Therapeutics Limited (GB) 2025-08-21 US disclosed
WO-2024018423-A1 PYRROLES AND IMIDAZOLES AS BET PROTEIN INHIBITORS Tay Therapeutics Limited (GB) 2024-01-25 WO disclosed
EP-2731436-B1 2-(PYRROLO[2,3-B]PYRIDINE-5-YL)-2-(T-BUTOXY)-ACETIC ACID DERIVATIVES AS HIV REPLICATION INHIBITORS FOR THE TREATMENT OF AIDS VIIV HEALTHCARE UK LTD (GB) 2017-03-08 EP disclosed
EP-2731436-B1 2-(PYRROLO[2,3-B]PYRIDINE-5-YL)-2-(T-BUTOXY)-ACETIC ACID DERIVATIVES AS HIV REPLICATION INHIBITORS FOR THE TREATMENT OF AIDS VIIV HEALTHCARE UK LTD (GB) 2017-03-08 EP disclosed
CN-105555783-A Autotaxin inhibitors comprising a heteroaromatic ring-benzyl-amide-cycle core NOVARTIS AG 2016-05-04 CN disclosed
CN-102666545-B As the heterocycle Pyrazolopyrimidine analogs of JAK inhibitor CELLZOME LTD. (GB) 2016-04-06 CN disclosed
CN-105008365-A Compound (I) GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENTLTD 2015-10-28 CN disclosed
CN-102596921-B Novel compounds GLAXO GROUP LTD 2015-04-29 CN disclosed
CN-104292154-A Novel compounds GLAXO GROUP LTD 2015-01-21 CN disclosed
EP-1487828-B1 MORPHOLINYL-UREA DERIVATIVES FOR USE OF THE TREATMENT OF INFLAMATORY DISEASES GLAXO GROUP LTD (GB) 2008-11-05 EP disclosed
US-20060063765-A1 Novel compounds GLAXO GROUP LIMITED (GB) 2006-03-23 US disclosed
EP-1487828-A2 MORPHOLINYL-UREA DERIVATIVES FOR USE OF THE TREATMENT OF INFLAMATORY DISEASES GLAXO GROUP LIMITED (GB) 2004-12-22 EP disclosed
WO-2003082861-A2 MORPHOLINYL-UREA DERIVATIVES FOR USE OF THE TREATMENT OF INFLAMMATORY DISEASES GLAXO GROUP LIMITED (GB) 2003-10-09 WO disclosed
EP-0609310-B1 N-(MERCAPTOACYL)AMINO ACIDS, METHODS OF THEIR PREPARATION AND THERAPEUTIC USE, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM INST NAT SANTE RECH MED (FR) 1998-07-29 EP disclosed
US-5591891-A PEPTIDASE INHIBITORS INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 1997-01-07 US disclosed
EP-0609310-A1 N-(MERCAPTOACYL)AMINO ACIDS, METHODS OF THEIR PREPARATION AND THERAPEUTIC USE, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 1994-08-10 EP disclosed
WO-1994017036-A1 S-LIPOPHILIC ALIPHATIC CARBONYL [N-MERCAPTOACYL-(AMINO ACID OR PEPTIDE)] COMPOUNDS AS ANTIHYPERTENSIVE AGENTS INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 1994-08-04 WO disclosed
EP-0539848-A1 N-(mercaptoacyl)amino acids, methods of their preparation and therapeutic use, and pharmaceutical compositions containing them INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 1993-05-05 EP disclosed
WO-1993008162-A1 N-(MERCAPTOACYL)AMINO ACIDS, METHODS OF THEIR PREPARATION AND THERAPEUTIC USE, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 1993-04-29 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 (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-20260000642-A1 PYRROLES AND IMIDAZOLES AS BET PROTEIN INHIBITORS BET1, BRD4, PHKB CES2 2325/4885CES1 2001/4885PDPK1 2485/4885
US-20250263370-A1 PYRROLES AND IMIDAZOLES AS BET PROTEIN INHIBITORS BET1, PHKB, BRD4 CES2 4265/4885CES1 3291/4885PDPK1 438/4885
US-20060063765-A1 Novel compounds CCR3, NSUN3, CCR1 CES2 1047/4885CES1 1250/4885PDPK1 4001/4885

“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.