SCHEMBL17064154

SCHEMBL17064154

CCC1(CC)OC(=O)CC(=O)O1.Ic1ccc(-c2ccccc2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 2/20 0.38
MMP9 P14780 2/20 0.38
MMP3 P08254 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
HPGD P15428 2/20 0.35
PTPN1 P18031 1/20 0.34
CDC25B P30305 1/20 0.34
MAPT P10636 2/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
TDP2 O95551 1/20 0.32
CTRC Q99895 1/20 0.32
GRM2 Q14416 1/20 0.31
APP P05067 1/20 0.31
PTGS2 P35354 1/20 0.31
ALDH1A1 P00352 1/20 0.31
KMT2A Q03164 1/20 0.31
CFTR P13569 1/20 0.31
GOPC Q9HD26 1/20 0.31

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
SCHEMBL17064143 0.83 NPC1 (0.38) SMN1; SMN2MAPTNPC1RAB9ATDP2
SCHEMBL17064155 0.78 SMN1; SMN2 (0.50) SMN1; SMN2HPGDPTPN1CDC25BNPC1
SCHEMBL17064149 0.78 SMN1; SMN2 (0.46) SMN1; SMN2HPGDNPC1RAB9ATDP2
SCHEMBL17064159 0.77 SMN1; SMN2 (0.36) MMP2MMP9SMN1; SMN2L3MBTL1HPGD
SCHEMBL17064150 0.77 MMP2 (0.44) MMP2MMP9MMP3L3MBTL1HPGD
SCHEMBL17064140 0.77 SMN1; SMN2 (0.49) SMN1; SMN2HPGDNPC1RAB9APTGS2
SCHEMBL2710911 0.76 PTPN1 (0.40) PTPN1CDC25BHSD11B1
SCHEMBL3966742 0.74 ELANE (0.42) MMP2MMP9L3MBTL1HSD11B1
SCHEMBL24029558 0.67 ALDH1A1 (0.60) MMP3SMN1; SMN2MAPTAPPALDH1A1
SCHEMBL45621 0.67 ALDH1A1 (0.60) MMP3SMN1; SMN2MAPTAPPALDH1A1

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 5 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
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
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 MMP2 3018/4885MMP9 4059/4885MMP3 2003/4885
US-20160362375-A1 Iodine(III)-Mediated Radiofluorination TPO, FLI1, SSTR3 MMP2 3018/4885MMP9 4059/4885MMP3 2003/4885

“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.