Sugi Predict

Sugi Predict / Compounds / SCHEMBL17064149

SCHEMBL17064149

SCHEMBL17064149

Ic1ccc(-c2ccccc2)cc1.O=C1CC(=O)OC2(CCC2)O1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ ALDH1A1 P00352 3/20 0.35
▸ KDM4E B2RXH2 1/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ CTRC Q99895 1/20 0.33
▸ TDP2 O95551 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ CHEK1 O14757 1/20 0.33
▸ AURKA O14965 1/20 0.33
▸ DAPK3 O43293 1/20 0.33
▸ PRKD3 O94806 1/20 0.33
▸ MAP4K4 O95819 1/20 0.33
▸ ABL1 P00519 1/20 0.33
▸ NTRK1 P04629 1/20 0.33
▸ CSF1R P07333 1/20 0.33
▸ RET P07949 1/20 0.33
▸ MET P08581 1/20 0.33
▸ PDGFRB P09619 1/20 0.33
▸ PIM1 P11309 1/20 0.33

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
SCHEMBL17064155 0.97 SMN1; SMN2 (0.50) SMN1; SMN2ALDH1A1KDM4ENPC1RAB9A
SCHEMBL17064140 0.95 SMN1; SMN2 (0.49) SMN1; SMN2ALDH1A1KDM4ENPC1RAB9A
SCHEMBL17064143 0.85 NPC1 (0.38) SMN1; SMN2ALDH1A1NPC1RAB9ACTRC
SCHEMBL17064132 0.79 ITGA1 (0.42) SMN1; SMN2ALDH1A1NPC1RAB9AKMT2A
SCHEMBL17064154 0.78 MMP2 (0.38) SMN1; SMN2ALDH1A1NPC1RAB9ACTRC
SCHEMBL17065551 0.75 SMN1; SMN2 (0.41) SMN1; SMN2ALDH1A1KDM4ENPC1RAB9A
SCHEMBL18788907 0.75 APP (0.51) HPGDSLC6A2SLC6A3
SCHEMBL17064148 0.74 SMN1; SMN2 (0.35) SMN1; SMN2ALDH1A1KDM4ENPC1RAB9A
SCHEMBL18788882 0.74 APP (0.50) —
SCHEMBL18788898 0.74 APP (0.50) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3114117-B1 IODINE(III)-MEDIATED RADIOFLUORINATION MASSACHUSETTS GEN HOSPITAL (US) 2019-10-02 — — EP disclosed
US-9957231-B2 Iodine(II)-mediated radiofluorination THE GENERAL HOSPITAL CORPORATION (US) 2018-05-01 — — US disclosed
EP-3114117-A1 IODINE(III)-MEDIATED RADIOFLUORINATION The General Hospital Corporation (US) 2017-01-11 — — EP disclosed
US-20160362375-A1 Iodine(III)-Mediated Radiofluorination THE GENERAL HOSPITAL CORPORATION 2016-12-15 — — US disclosed
US-9434699-B2 Iodine(III)-mediated radiofluorination THE GENERAL HOSPITAL CORPORATION (US) 2016-09-06 — — US disclosed
WO-2015134923-A1 IODINE(III)-MEDIATED RADIOFLUORINATION THE GENERAL HOSPITAL CORPORATION (US) 2015-09-11 — — WO disclosed
US-20150252007-A1 IODINE(III)-MEDIATED RADIOFLUORINATION THE GENERAL HOSPITAL CORPORATION 2015-09-10 — — 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 (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-20150252007-A1 IODINE(III)-MEDIATED RADIOFLUORINATION TPO, FLI1, SSTR3 SMN1; SMN2 4649/4885ALDH1A1 1826/4885KDM4E 1312/4885
US-20160362375-A1 Iodine(III)-Mediated Radiofluorination TPO, FLI1, SSTR3 SMN1; SMN2 4649/4885ALDH1A1 1826/4885KDM4E 1312/4885

“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.