SCHEMBL13556928

SCHEMBL13556928

CC(=O)CCN(C1(C(=O)NO)CCCC1)S(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1

nearest known ligand 0.81

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 16/20 0.81
MMP13 P45452 15/20 0.53
MMP9 P14780 5/20 0.45
MMP2 P08253 4/20 0.45
MMP3 P08254 3/20 0.45
MMP8 P22894 3/20 0.45
MMP14 P50281 2/20 0.45
MMP12 P39900 1/20 0.45
FFAR1 O14842 1/20 0.40
ADAM17 P78536 1/20 0.40
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
GAA P10253 1/20 0.39
HTT P42858 1/20 0.39
KMT2A Q03164 1/20 0.39
LTA4H P09960 1/20 0.38
BMP1 P13497 1/20 0.38

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
SCHEMBL25130 0.92 MMP1 (0.96) MMP1MMP13MMP9MMP2MMP3
SCHEMBL6813051 0.91 MMP1 (0.94) MMP1MMP13MMP9MMP2MMP3
SCHEMBL26986 0.90 MMP1 (1.00) MMP1MMP13MMP9MMP2MMP3
SCHEMBL6813091 0.89 MMP1 (0.76) MMP1MMP13MMP9MMP2MMP3
SCHEMBL20885005 0.87 MMP1 (0.73) MMP1MMP13MMP9MMP2MMP3
SCHEMBL6691684 0.87 MMP1 (0.79) MMP1MMP13MMP9MMP2MMP3
SCHEMBL3914710 0.84 MMP1 (0.78) MMP1MMP13MMP9MMP2MMP3
SCHEMBL6876444 0.83 MMP1 (0.81) MMP1MMP13MMP9MMP2MMP3
SCHEMBL26434 0.83 MMP1 (0.83) MMP1MMP13MMP9MMP2MMP3
SCHEMBL4940266 0.83 MMP1 (0.67) MMP1MMP13MMP9MMP8MMP12

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
US-20190105409-A9 IMAGING AGENTS WITH IMPROVED PHARMACOKINETIC PROFILES GE HEALTHCARE AS (NO) 2019-04-11 US disclosed
US-20140286866-A1 IMAGING AGENTS WITH IMPROVED PHARMACOKINETIC PROFILES GE HEALTHCARE AS (NO) 2014-09-25 US disclosed
US-20140286866-A1 IMAGING AGENTS WITH IMPROVED PHARMACOKINETIC PROFILES GE HEALTHCARE AS (NO) 2014-09-25 US disclosed
US-20120269727-A1 IMAGING AGENTS WITH IMPROVED PHARMACOKINETIC PROFILES GE HEALTHCARE AS (NO) 2012-10-25 US disclosed
US-20120269727-A1 IMAGING AGENTS WITH IMPROVED PHARMACOKINETIC PROFILES GE HEALTHCARE AS (NO) 2012-10-25 US disclosed
US-20080095704-A1 A polyoxyethylene glycol having a molecular weight of < 3000 Da and 2-50 ethylene glycol units, an imageable moiety anda non-peptidic vector moiety provided that the vector does not have affinity for the Angiotensin II receptor; enhanced contrast; tomography (SPECT); PET sccans; MRIs GE HEALTHCARE AS (NO) 2008-04-24 US disclosed
US-20080095704-A1 A polyoxyethylene glycol having a molecular weight of < 3000 Da and 2-50 ethylene glycol units, an imageable moiety anda non-peptidic vector moiety provided that the vector does not have affinity for the Angiotensin II receptor; enhanced contrast; tomography (SPECT); PET sccans; MRIs GE HEALTHCARE AS (NO) 2008-04-24 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 (4 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-20080095704-A1 A polyoxyethylene glycol having a molecular weight of < 3000 Da and 2-50 ethylene glycol units, an imageable moiety anda non-peptidic vector moiety provided that the vector does not have affinity for the Angiotensin II receptor; enhanced contrast; tomography (SPECT); PET sccans; MRIs AGTR1, AGTR2, AVPR1A MMP1 342/4885MMP13 416/4885MMP9 527/4885
US-20190105409-A9 IMAGING AGENTS WITH IMPROVED PHARMACOKINETIC PROFILES SLC10A1, SLC10A2, SLC19A1 MMP1 1627/4885MMP13 1758/4885MMP9 2338/4885
US-20140286866-A1 IMAGING AGENTS WITH IMPROVED PHARMACOKINETIC PROFILES SLC10A1, SLC10A2, SLC19A1 MMP1 1627/4885MMP13 1758/4885MMP9 2338/4885
US-20120269727-A1 IMAGING AGENTS WITH IMPROVED PHARMACOKINETIC PROFILES SLC10A1, SLC10A2, SLC19A1 MMP1 1627/4885MMP13 1758/4885MMP9 2338/4885

“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.