SCHEMBL1225874

SCHEMBL1225874

O=C(O)c1onc(-c2ccccc2)c1C(F)(F)F

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.46
ESR2 Q92731 1/20 0.46
PTGER1 P34995 1/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
GAA P10253 1/20 0.42
PTPN1 P18031 1/20 0.41
S1PR1 P21453 5/20 0.41
S1PR3 Q99500 2/20 0.41
KCNH2 Q12809 1/20 0.41
PTGS2 P35354 1/20 0.41
NPC1 O15118 1/20 0.40
KDM4E B2RXH2 1/20 0.40
LMNA P02545 1/20 0.40
PTGS1 P23219 1/20 0.40
ALDH1A1 P00352 1/20 0.40
GABRA5 P31644 1/20 0.40
FFAR4 Q5NUL3 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
SCHEMBL27853872 0.98 ESR1 (0.44) ESR1ESR2PTGER1MEN1KMT2A
SCHEMBL1226119 0.92 ESR1 (0.44) ESR1ESR2PTGER1MEN1KMT2A
SCHEMBL27971853 0.90 ESR1 (0.46) ESR1ESR2PTGER1MEN1KMT2A
SCHEMBL1226244 0.88 ESR1 (0.43) ESR1ESR2PTGER1MEN1KMT2A
SCHEMBL1805305 0.84 PTGS1 (0.55) NPC1KDM4ELMNAPTGS1ALDH1A1
SCHEMBL2560363 0.83 FFAR4 (0.45) MEN1KMT2APTPN1S1PR1S1PR3
SCHEMBL408682 0.81 S1PR1 (0.45) S1PR1S1PR3NPC1KDM4ELMNA
SCHEMBL1225747 0.81 CACNA1F (0.49) KDM4ELMNAALDH1A1GABRA5
SCHEMBL1810547 0.79 ESR1 (0.42) ESR1ESR2MEN1KMT2AS1PR1
SCHEMBL1805881 0.79 ESR1 (0.42) ESR1ESR2MEN1KMT2AS1PR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240316017-A1 NOVEL PYRIDINE DERIVATIVE COMPOUND AS RON INHIBITOR LG CHEM, LTD. (KR) 2024-09-26 US disclosed
EP-4349826-A1 NOVEL PYRIDINE DERIVATIVE COMPOUND AS RON INHIBITOR LG Chem, Ltd. (KR) 2024-04-10 EP disclosed
WO-2022270977-A1 NOVEL PYRIDINE DERIVATIVE COMPOUND AS RON INHIBITOR 주식회사 엘지화학 2022-12-29 WO disclosed
EP-2592071-B1 Tricyclic heterocyclic compounds BRISTOL MYERS SQUIBB CO (US) 2019-09-18 EP disclosed
EP-2592071-B1 Tricyclic heterocyclic compounds BRISTOL MYERS SQUIBB CO (US) 2019-09-18 EP disclosed
CN-103119038-B As 4-(5-isoxazolyl or 5-pyrazolyl-1,2, the 4-oxadiazolyl-3-yl) mandelic acidamide of S1P 1 receptor stimulating agent BRISTOL-MYERS SQUIBB CO. (US) 2016-05-04 CN disclosed
US-9216972-B2 Tricyclic heterocyclic compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2015-12-22 US disclosed
US-9216972-B2 Tricyclic heterocyclic compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2015-12-22 US disclosed
US-9216972-B2 Tricyclic heterocyclic compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2015-12-22 US disclosed
CN-102686571-B tricyclic heterocyclic compounds BRISTOL-MYERS SQUIBB CO. (US) 2015-11-25 CN disclosed
WO-2011133734-A1 4 - (5 - ISOXAZOLYL OR 5 - PYRRAZOLYL -1,2,4- OXADIAZOL - 3 - YL) -MANDELIC ACID AMIDES AS SPHINGOSIN- 1 - PHOSPHATE 1 RRECEPTOR AGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2011-10-27 WO disclosed
US-20110190255-A1 HETEROCYCLIC COMPOUNDS BRISTOL-MYERS SQUIBB COMPANY 2011-08-04 US disclosed
US-20110190255-A1 HETEROCYCLIC COMPOUNDS BRISTOL-MYERS SQUIBB COMPANY 2011-08-04 US disclosed
US-20110190255-A1 HETEROCYCLIC COMPOUNDS BRISTOL-MYERS SQUIBB COMPANY 2011-08-04 US disclosed
WO-2011059784-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS BRISTOL-MYERS SQUIBB COMPANY (US) 2011-05-19 WO disclosed
WO-2011059784-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS BRISTOL-MYERS SQUIBB COMPANY (US) 2011-05-19 WO disclosed
WO-2011017578-A1 SPHINGOSINE-1-PHOSPHATE RECEPTOR AGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2011-02-10 WO disclosed
WO-2011017578-A1 SPHINGOSINE-1-PHOSPHATE RECEPTOR AGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2011-02-10 WO disclosed
WO-2010085581-A1 SUBSTITUTED OXADIAZOLE DERIVATIVES AS S1P AGONISTS IN THE TREATMENT OF AUTOIMMUNE AND INFLAMMATORY DISEASES BRISTOL-MYERS SQUIBB COMPANY (US) 2010-07-29 WO disclosed
WO-2010085581-A1 SUBSTITUTED OXADIAZOLE DERIVATIVES AS S1P AGONISTS IN THE TREATMENT OF AUTOIMMUNE AND INFLAMMATORY DISEASES BRISTOL-MYERS SQUIBB COMPANY (US) 2010-07-29 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 (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-20110190255-A1 HETEROCYCLIC COMPOUNDS S1PR1, S1PR3, S1PR5 ESR1 2058/4885ESR2 1567/4885PTGER1 29/4885
US-20240316017-A1 NOVEL PYRIDINE DERIVATIVE COMPOUND AS RON INHIBITOR RET, ROS1, MST1R ESR1 338/4885ESR2 236/4885PTGER1 3004/4885

“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.