SCHEMBL652824

SCHEMBL652824

O=C(O)CCOc1ccc(F)cc1

nearest known ligand 0.67

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.67
LTA4H P09960 2/20 0.63
MMP2 P08253 1/20 0.57
FFAR1 O14842 2/20 0.54
KDM4E B2RXH2 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
LMNA P02545 2/20 0.50
ALDH1A1 P00352 2/20 0.50
TSHR P16473 1/20 0.50
NR4A2 P43354 1/20 0.50
PPARA Q07869 2/20 0.49
PPARG P37231 1/20 0.49

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
SCHEMBL3256041 0.90 LTA4H (0.61) L3MBTL1LTA4HFFAR1KDM4ESMN1; SMN2
SCHEMBL4401690 0.89 PPARA (0.63) L3MBTL1LTA4HFFAR1KDM4ESMN1; SMN2
SCHEMBL1008370 0.87 PPARA (0.61) L3MBTL1LTA4HFFAR1KDM4ESMN1; SMN2
SCHEMBL4654976 0.87 PPARA (0.61) L3MBTL1LTA4HFFAR1KDM4ESMN1; SMN2
SCHEMBL4654038 0.87 PPARA (0.61) L3MBTL1LTA4HFFAR1KDM4ESMN1; SMN2
SCHEMBL8863703 0.87 PPARA (0.61) L3MBTL1LTA4HFFAR1KDM4ESMN1; SMN2
SCHEMBL7566062 0.83 PPARA (0.69) LTA4HFFAR1KDM4ESMN1; SMN2LMNA
SCHEMBL8302869 0.82 LTA4H (0.54) L3MBTL1LTA4HKDM4ESMN1; SMN2ALDH1A1
SCHEMBL19043168 0.82 PARP10 (0.51) L3MBTL1LTA4HKDM4ESMN1; SMN2ALDH1A1
SCHEMBL1310073 0.82 LTA4H (0.50) L3MBTL1LTA4HKDM4ESMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025202864-A1 ENT1 INHIBITORS IN COMBINATION WITH ONCOLYTIC VIRUSES AND THEIR USE IN THE TREATMENT OF CANCER iTeos Belgium SA (BE) 2025-10-02 WO claimed
WO-2025126110-A1 ENT1 INHIBITORS IN COMBINATION WITH BISPECIFIC ANTIBODIES iTeos Belgium SA (BE) 2025-06-19 WO claimed
WO-2025104613-A1 ENT1 INHIBITORS IN COMBINATION WITH CHECKPOINT INHIBITORS iTeos Belgium SA (BE) 2025-05-22 WO claimed
CN-116535365-A Macrocyclic diamine derivatives and their combination with adenosine receptor antagonists as ENT inhibitors for the treatment of cancer ITEOS比利时公司 2023-08-04 CN claimed
US-20230203058-A1 MACROCYCLIC DIAMINE DERIVATIVES AS ENT INHIBITORS FOR THE TREATMENT OF CANCERS, AND COMBINATION THEREOF WITH ADENOSINE RECEPTOR ANTAGONISTS iTeos Belgium SA (BE) 2023-06-29 US claimed
EP-4132933-A1 MACROCYCLIC DIAMINE DERIVATIVES AS ENT INHIBITORS FOR THE TREATMENT OF CANCERS, AND COMBINATION THEREOF WITH ADENOSINE RECEPTOR ANTAGONISTS iTeos Belgium SA (BE) 2023-02-15 EP claimed
EP-0168006-B1 PROCESS FOR PREPARING 3-(4-FLUOROPHENOXY)PROPIONITRILE AND A PROCESS FOR PREPARING 6-FLUORO-4-CHROMANONE USING 3-(4-FLUOROPHENOXY)PROPIONITRILE KANEGAFUCHI KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1989-12-27 EP claimed
EP-0168006-A2 Process for preparing 3-(4-Fluorophenoxy)propionitrile and a process for preparing 6-fluoro-4-chromanone using 3-(4-fluorophenoxy)propionitrile KANEGAFUCHI KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1986-01-15 EP claimed
JP-62215548-A None JP disclosed
JP-62126184-A None JP disclosed
WO-2025202864-A1 ENT1 INHIBITORS IN COMBINATION WITH ONCOLYTIC VIRUSES AND THEIR USE IN THE TREATMENT OF CANCER iTeos Belgium SA (BE) 2025-10-02 WO disclosed
WO-2025126110-A1 ENT1 INHIBITORS IN COMBINATION WITH BISPECIFIC ANTIBODIES iTeos Belgium SA (BE) 2025-06-19 WO disclosed
WO-2025104613-A1 ENT1 INHIBITORS IN COMBINATION WITH CHECKPOINT INHIBITORS iTeos Belgium SA (BE) 2025-05-22 WO disclosed
US-20240027902-A1 CHEMICALLY AMPLIFIED RESIST COMPOSITION AND PATTERNING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2024-01-25 US disclosed
US-4177282-A ANITDIABETIC PFIZER INC. (US) 1979-12-04 US disclosed
US-4147795-A ENZYME INHIBITORS PFIZER INC. (US) 1979-04-03 US disclosed
US-4130714-A SPIRO CHROMANS OR THIOCHROMANS PFIZER INC. (US) 1978-12-19 US disclosed
US-4117230-A ANTIDIABETIC AGENTS PFIZER INC. (US) 1978-09-26 US disclosed
US-4086240-A 1-Thiazolyl-5-phenoxy and phenylthioalkanoyloxyimidazolidinones VELSICOL CHEMICAL CORPORATION (US) 1978-04-25 US disclosed
US-4053480-A 1-THIADIAZOLYL-5-PHENOXY- AND PHENYLTHIOALKANOYLOXY IMIDAZOLIDINONES VELSICOL CHEMICAL CORPORATION (US) 1977-10-11 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-20230203058-A1 MACROCYCLIC DIAMINE DERIVATIVES AS ENT INHIBITORS FOR THE TREATMENT OF CANCERS, AND COMBINATION THEREOF WITH ADENOSINE RECEPTOR ANTAGONISTS ENTPD1, SLC29A1, ENTPD5 L3MBTL1 3878/4885LTA4H 2152/4885MMP2 2754/4885

“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.