SCHEMBL17585449

SCHEMBL17585449

COc1ccc(OC(F)F)nc1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.49
▸ F2RL3 Q96RI0 3/20 0.45
▸ NPC1 O15118 1/20 0.42
▸ RXRA P19793 1/20 0.40
▸ GRIN1 Q05586 1/20 0.40
▸ GRIN2B Q13224 1/20 0.40
▸ HCRTR1 O43613 2/20 0.39
▸ HCRTR2 O43614 2/20 0.39
▸ DAO P14920 1/20 0.38
▸ PIK3CA P42336 1/20 0.38
▸ CA12 O43570 1/20 0.37
▸ CA1 P00915 1/20 0.37
▸ CA2 P00918 1/20 0.37
▸ CA7 P43166 1/20 0.37
▸ CA9 Q16790 1/20 0.37
▸ CA14 Q9ULX7 1/20 0.37
▸ HAO1 Q9UJM8 1/20 0.37
▸ MAPT P10636 1/20 0.36
▸ CSF1R P07333 1/20 0.36

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
SCHEMBL27978103 0.85 KDM4E (0.60) KDM4EF2RL3NPC1RXRAGRIN1
SCHEMBL27681568 0.82 ALDH1A1 (0.47) —
SCHEMBL3816388 0.79 NNMT (0.48) KDM4ECA12CA1CA2CA7
SCHEMBL29525223 0.79 NNMT (0.48) KDM4ECA12CA1CA2CA7
SCHEMBL31424084 0.77 KDM4E (0.43) KDM4ECA12CA1CA2CA7
SCHEMBL12073249 0.76 CCR1 (0.43) KDM4EF2RL3RXRAGRIN1GRIN2B
SCHEMBL9061724 0.75 RXFP1 (0.49) KDM4EF2RL3NPC1RXRAGRIN1
SCHEMBL21651957 0.74 FFAR1 (0.42) KDM4EHCRTR1HCRTR2PIK3CA
SCHEMBL24746481 0.74 DAO (0.40) KDM4ENPC1RXRAGRIN1GRIN2B
SCHEMBL19753970 0.74 RXRA (0.46) KDM4EF2RL3RXRAGRIN1GRIN2B

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11685737-B2 Fluorinated integrin antagonists OCUTERRA THERAPEUTICS, INC. (US) 2023-06-27 — — US disclosed
US-11685738-B2 Fluorinated tetrahydronaphthyridinyl nonanoic acid derivatives and uses thereof OCUTERRA THERAPEUTICS, INC. (US) 2023-06-27 — — US disclosed
US-20170369490-A1 FLUORINATED TETRAHYDRONAPHTHYRIDINYL NONANOIC ACID DERIVATIVES AND USES THEREOF FELIQS CORPORATION (JP) 2017-12-28 — — US disclosed
US-9790222-B2 Fluorinated tetrahydronaphthyridinyl nonanoic acid derivatives and uses thereof SCIFLUOR LIFE SCIENCES, INC. (US) 2017-10-17 — — US disclosed
US-20170291900-A1 FLUORINATED INTEGRIN ANTAGONISTS FELIQS CORPORATION (JP) 2017-10-12 — — US disclosed
US-9717729-B2 Fluorinated integrin antagonists SCIFLUOR LIFE SCIENCES, INC. (US) 2017-08-01 — — US disclosed
US-20170071939-A1 FLUORINATED INTEGRIN ANTAGONISTS FELIQS CORPORATION (JP) 2017-03-16 — — US disclosed
US-9518053-B2 Fluorinated integrin antagonists SCIFLUOR LIFE SCIENCES, INC. (US) 2016-12-13 — — US disclosed
US-20160244447-A1 FLUORINATED TETRAHYDRONAPHTHYRIDINYL NONANOIC ACID DERIVATIVES AND USES THEREOF FELIQS CORPORATION (JP) 2016-08-25 — — US disclosed
US-20160075698-A1 FLUORINATED INTEGRIN ANTAGONISTS FELIQS CORPORATION (JP) 2016-03-17 — — US disclosed
CN-103201261-A Lactam derivatives as orexin receptor antagonists ACTELION PHARMACEUTICALS LTD 2013-07-10 — — CN 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 (7 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-11685737-B2 Fluorinated integrin antagonists ITGB5, ITGB1, ITGA5 KDM4E 2577/4885F2RL3 49/4885NPC1 1009/4885
US-20170071939-A1 FLUORINATED INTEGRIN ANTAGONISTS ITGB5, ITGB1, ITGA5 KDM4E 2577/4885F2RL3 49/4885NPC1 1009/4885
US-20170369490-A1 FLUORINATED TETRAHYDRONAPHTHYRIDINYL NONANOIC ACID DERIVATIVES AND USES THEREOF FFAR3, FFAR2, FFAR1 KDM4E 4044/4885F2RL3 332/4885NPC1 159/4885
US-11685738-B2 Fluorinated tetrahydronaphthyridinyl nonanoic acid derivatives and uses thereof FFAR3, FFAR2, FFAR1 KDM4E 4044/4885F2RL3 332/4885NPC1 159/4885
US-20160244447-A1 FLUORINATED TETRAHYDRONAPHTHYRIDINYL NONANOIC ACID DERIVATIVES AND USES THEREOF FFAR3, FFAR2, FFAR1 KDM4E 4044/4885F2RL3 332/4885NPC1 159/4885
US-20160075698-A1 FLUORINATED INTEGRIN ANTAGONISTS ITGB5, ITGB1, ITGA5 KDM4E 2577/4885F2RL3 49/4885NPC1 1009/4885
US-20170291900-A1 FLUORINATED INTEGRIN ANTAGONISTS ITGB5, ITGB1, ITGA5 KDM4E 2577/4885F2RL3 49/4885NPC1 1009/4885

“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.

Send feedback