SCHEMBL17585451

SCHEMBL17585451

COc1cnc2ccc(F)cc2c1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDGFRB P09619 9/20 0.54
PDGFRA P16234 9/20 0.54
ALDH1A1 P00352 1/20 0.54
F2 P00734 1/20 0.54
GLA P06280 1/20 0.54
HPGD P15428 1/20 0.54
EGFR P00533 2/20 0.49
CYP11B1 P15538 1/20 0.46
CYP11B2 P19099 1/20 0.46
MET P08581 2/20 0.45
NFE2L2 Q16236 1/20 0.41
AMY1A P0DUB6 1/20 0.41
APP P05067 1/20 0.41
TRPA1 O75762 1/20 0.40
MAPK14 Q16539 1/20 0.40

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
SCHEMBL444746 0.86 PDGFRB (0.58) PDGFRBPDGFRAALDH1A1F2GLA
SCHEMBL17585453 0.86 PDGFRB (0.50) PDGFRBPDGFRAALDH1A1F2GLA
SCHEMBL7028923 0.85 ALDH1A1 (0.70) PDGFRBPDGFRAALDH1A1F2GLA
SCHEMBL15041953 0.80 ALDH1A1 (0.55) PDGFRBPDGFRAALDH1A1F2GLA
SCHEMBL21988953 0.79 ALDH1A1 (0.71) PDGFRBPDGFRAALDH1A1F2GLA
SCHEMBL360304 0.79 ALDH1A1 (0.54) PDGFRBPDGFRAALDH1A1F2GLA
SCHEMBL3839079 0.79 ALDH1A1 (0.54) PDGFRBPDGFRAALDH1A1F2GLA
SCHEMBL620427 0.79 ALDH1A1 (0.54) PDGFRBPDGFRAALDH1A1F2GLA
SCHEMBL620457 0.79 ALDH1A1 (0.58) PDGFRBPDGFRAALDH1A1F2GLA
SCHEMBL3868339 0.78 BACE1 (0.47) PDGFRBPDGFRACYP11B2

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 10 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

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 PDGFRB 85/4885PDGFRA 200/4885ALDH1A1 2260/4885
US-20170071939-A1 FLUORINATED INTEGRIN ANTAGONISTS ITGB5, ITGB1, ITGA5 PDGFRB 85/4885PDGFRA 200/4885ALDH1A1 2260/4885
US-20170369490-A1 FLUORINATED TETRAHYDRONAPHTHYRIDINYL NONANOIC ACID DERIVATIVES AND USES THEREOF FFAR3, FFAR2, FFAR1 PDGFRB 442/4885PDGFRA 614/4885ALDH1A1 1949/4885
US-11685738-B2 Fluorinated tetrahydronaphthyridinyl nonanoic acid derivatives and uses thereof FFAR3, FFAR2, FFAR1 PDGFRB 442/4885PDGFRA 614/4885ALDH1A1 1949/4885
US-20160244447-A1 FLUORINATED TETRAHYDRONAPHTHYRIDINYL NONANOIC ACID DERIVATIVES AND USES THEREOF FFAR3, FFAR2, FFAR1 PDGFRB 442/4885PDGFRA 614/4885ALDH1A1 1949/4885
US-20160075698-A1 FLUORINATED INTEGRIN ANTAGONISTS ITGB5, ITGB1, ITGA5 PDGFRB 85/4885PDGFRA 200/4885ALDH1A1 2260/4885
US-20170291900-A1 FLUORINATED INTEGRIN ANTAGONISTS ITGB5, ITGB1, ITGA5 PDGFRB 85/4885PDGFRA 200/4885ALDH1A1 2260/4885

“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.