SCHEMBL1051747

SCHEMBL1051747

COc1ccc(C(=O)O)c(F)c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CPS1 P31327 9/20 0.63
SMN1; SMN2 Q16637 1/20 0.54
AKR1C3 P42330 6/20 0.54
AKR1C2 P52895 6/20 0.54
NPC1 O15118 1/20 0.52
RAB9A P51151 1/20 0.52
MEN1 O00255 1/20 0.51
ALDH1A1 P00352 1/20 0.51
LMNA P02545 1/20 0.51
GAA P10253 1/20 0.51
HPGD P15428 1/20 0.51
ALOX12 P18054 1/20 0.51
KMT2A Q03164 1/20 0.51
KDM4E B2RXH2 1/20 0.50
PRKAB2 O43741 1/20 0.50
PRKAG1 P54619 1/20 0.50
PRKAA2 P54646 1/20 0.50
PRKAA1 Q13131 1/20 0.50
PRKAG3 Q9UGI9 1/20 0.50
PRKAG2 Q9UGJ0 1/20 0.50

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
SCHEMBL14994200 0.87 SMN1; SMN2 (0.59) CPS1SMN1; SMN2AKR1C3AKR1C2MEN1
SCHEMBL27888628 0.85 CDC25B (0.56) CPS1AKR1C3AKR1C2NPC1RAB9A
SCHEMBL395640 0.85 SMN1; SMN2 (0.59) CPS1SMN1; SMN2AKR1C3AKR1C2MEN1
SCHEMBL531399 0.85 ALDH1A1 (0.65) CPS1NPC1RAB9AMEN1ALDH1A1
SCHEMBL29639738 0.85 ALDH1A1 (0.65) CPS1NPC1RAB9AMEN1ALDH1A1
SCHEMBL1555099 0.83 CPS1 (0.61) CPS1NPC1RAB9AMEN1ALDH1A1
SCHEMBL1554929 0.83 CPS1 (0.61) CPS1NPC1RAB9AMEN1ALDH1A1
SCHEMBL72082 0.83 CPS1 (0.61) CPS1NPC1RAB9AMEN1ALDH1A1
SCHEMBL15226106 0.83 CPS1 (0.61) CPS1NPC1RAB9AMEN1ALDH1A1
SCHEMBL6692981 0.82 ALDH1A1 (0.49) CPS1AKR1C3AKR1C2ALDH1A1HPGD

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 401 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-118239832-A Preparation method of 2-fluoro-4-methoxybenzoic acid 台州凌峰生物科技有限公司 2024-06-25 CN 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
CN-116178685-A LCP material with high clearing point and preparation method thereof 宁夏清研高分子新材料有限公司 2023-05-30 CN 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-3551633-B1 SUBSTITUTED PYRAZOLOAZEPIN-4-ONES AND THEIR USE AS PHOSPHODIESTERASE INHIBITORS LEO PHARMA AS (DK) 2021-03-31 EP claimed
CN-110343070-A A kind of Antitubulin and the preparation method and application thereof 山东大学 2019-10-18 CN claimed
EP-3551634-A1 SUBSTITUTED PYRAZOLOAZEPIN-8-ONES AND THEIR USE AS PHOSPHODIESTERASE INHIBITORS Leo Pharma A/S (DK) 2019-10-16 EP claimed
CN-110088108-A SUBSTITUTED PYRAZOLOAZEPIN-4-ONES AND THEIR USE AS PHOSPHODIESTERASE INHIBITORS 利奥制药有限公司 2019-08-02 CN claimed
WO-2018108231-A1 SUBSTITUTED PYRAZOLOAZEPIN-8-ONES AND THEIR USE AS PHOSPHODIESTERASE INHIBITORS LEO PHARMA A/S (DK) 2018-06-21 WO claimed
CN-103958690-A Method for controlling undesirable byproducts formation caused by contaminating organisms in the production of ethanol from syngas COSKATA INC 2014-07-30 CN claimed
EP-3856179-B1 MONOACYLGLYCEROL LIPASE MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2026-05-13 EP disclosed
EP-4713306-A1 NOVEL TRACER FOR THE IN VIVO DETECTION OF THE AGGREGATION OF ALPHA-SYNUCLEIN Stichting Amsterdam UMC (NL) 2026-03-25 EP disclosed
EP-3710428-B1 MODULATORS OF THE INTEGRATED STRESS PATHWAY CALICO LIFE SCIENCES LLC (US) 2026-03-25 EP disclosed
WO-2000001692-A1 SALTS OF PAROXETINE SMITHKLINE BEECHAM PLC (GB) 2000-01-13 WO disclosed
WO-1999034790-A1 GLYCINE TRANSPORT INHIBITORS ALLELIX NEUROSCIENCE, INC. (US) 1999-07-15 WO disclosed
US-3985891-A CARDIOTONICS, ANTICOAGULANTS BOEHRINGER INGELHEIM GMBH (DT) 1976-10-12 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 CPS1 2702/4885SMN1; SMN2 3838/4885AKR1C3 366/4885

“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.