SCHEMBL4614895

SCHEMBL4614895

O=C(OCc1ccccc1)C1(NS(=O)(=O)c2ccc(-c3ccc(F)cc3)cc2)CCCC1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 10/20 0.51
MMP13 P45452 10/20 0.51
BCL2L1 Q07817 1/20 0.47
MCL1 Q07820 1/20 0.47
ALDH1A1 P00352 1/20 0.46
CTSL P07711 1/20 0.45
CTSS P25774 1/20 0.45
CTSK P43235 1/20 0.45
RORC P51449 2/20 0.44
MGLL Q99685 1/20 0.44
AR P10275 1/20 0.43
USP2 O75604 1/20 0.42
HTT P42858 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL6809628 0.92 MMP1 (0.63) MMP1MMP13BCL2L1MCL1RORC
SCHEMBL6696963 0.89 MMP1 (0.63) MMP1MMP13BCL2L1MCL1RORC
SCHEMBL5678202 0.83 MMP1 (0.50) MMP1MMP13ALDH1A1CTSLCTSS
SCHEMBL6866682 0.83 MMP1 (0.65) MMP1MMP13
SCHEMBL5675854 0.81 ALDH1A1 (0.50) MMP1MMP13ALDH1A1HTT
SCHEMBL13898698 0.81 MMP1 (0.49) MMP1MMP13AR
SCHEMBL6796931 0.80 MMP1 (0.58) MMP1MMP13ALDH1A1USP2HTT
SCHEMBL6801915 0.79 MMP1 (0.59) MMP1MMP13ALDH1A1USP2HTT
SCHEMBL4665620 0.79 ITGB1 (0.40) BCL2L1MCL1CTSLCTSSCTSK
SCHEMBL6872351 0.76 MMP1 (0.67) MMP1MMP13AR

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 12 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-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
EP-1682113-B1 INHIBITOR IMAGING AGENTS GE HEALTHCARE LTD (GB) 2008-01-23 EP disclosed
US-20070104644-A1 Inhibitor imaging agents CUTHBERTSON ALAN 2007-05-10 US disclosed
EP-1682113-A1 INHIBITOR IMAGING AGENTS GE Healthcare Limited (GB) 2006-07-26 EP disclosed
WO-2006004429-A2 IMAGING AGENTS COMPRISING A NON- PEPTIDIC VECTOR LINKED TO A FLUOROPHORE VIA A POLYETHYLENE GLYCOL LINKER GE HEALTHCARE AS (NO) 2006-01-12 WO disclosed
WO-2005049005-A1 INHIBITOR IMAGING AGENTS GE HEALTHCARE LIMITED (GB) 2005-06-02 WO disclosed
EP-0895988-B1 Arylsulfonylamino hydroxamic acid derivatives PFIZER PROD INC (US) 2002-05-22 EP disclosed
US-6107337-A ANTIARTHRITIC AGENTS; ANTICARCINOGENIC AGENTS PFIZER INC. (US) 2000-08-22 US disclosed
EP-0895988-A1 Arylsulfonylamino hydroxamic acid derivatives Pfizer Products Inc. (US) 1999-02-10 EP 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 (5 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 416/4885BCL2L1 1887/4885
US-20190105409-A9 IMAGING AGENTS WITH IMPROVED PHARMACOKINETIC PROFILES SLC10A1, SLC10A2, SLC19A1 MMP1 1627/4885MMP13 1758/4885BCL2L1 4575/4885
US-20140286866-A1 IMAGING AGENTS WITH IMPROVED PHARMACOKINETIC PROFILES SLC10A1, SLC10A2, SLC19A1 MMP1 1627/4885MMP13 1758/4885BCL2L1 4575/4885
US-20120269727-A1 IMAGING AGENTS WITH IMPROVED PHARMACOKINETIC PROFILES SLC10A1, SLC10A2, SLC19A1 MMP1 1627/4885MMP13 1758/4885BCL2L1 4575/4885
US-20070104644-A1 Inhibitor imaging agents MMP3, MMP1, MMP10 MMP1 2/4885MMP13 14/4885BCL2L1 1984/4885

“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.