SCHEMBL697173

SCHEMBL697173

CC(C)(C)CC(=O)OCCl

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.37
ALDH1A1 P00352 1/20 0.37
MIF P14174 1/20 0.33
NPC1 O15118 1/20 0.30
TP53 P04637 1/20 0.30
RAB9A P51151 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL22164620 0.83 HMGCR (0.33)
SCHEMBL12988210 0.82 MGAM (0.34) LMNAALDH1A1
SCHEMBL15694063 0.79 DGKA (0.39) LMNAALDH1A1MIFNPC1TP53
SCHEMBL798062 0.77 GAA (0.55) LMNAALDH1A1MIF
SCHEMBL4820356 0.77 ALDH1A1 (0.39) LMNAALDH1A1MIFNPC1TP53
SCHEMBL12028701 0.77 LMNA (0.35) LMNAALDH1A1MIFNPC1TP53
SCHEMBL394513 0.76 LMNA (0.36) LMNAALDH1A1MIF
SCHEMBL22803342 0.76 MGAM (0.33) LMNAALDH1A1
SCHEMBL22356145 0.75 LMNA (0.36) LMNAALDH1A1MIFNPC1TP53
SCHEMBL11058319 0.75 LMNA (0.34) LMNAALDH1A1MIFNPC1TP53

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 28 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9359376-B2 Substituted methylformyl reagents and method of using same to modify physicochemical and/or pharmacokinetic properties of compounds SPHAERA PHARMA PTE. LTD (SG) 2016-06-07 US claimed
US-20140121367-A1 SUBSTITUTED METHYLFORMYL REAGENTS AND METHOD OF USING SAME TO MODIFY PHYSICOCHEMICAL AND/OR PHARMACOKINETIC PROPERTIES OF COMPOUNDS PIVOT HOLDING LLC 2014-05-01 US claimed
EP-2693876-A1 SUBSTITUTED METHYLFORMYL REAGENTS AND METHOD OF USING SAME TO MODIFY PHYSICOCHEMICAL AND/OR PHARMACOKINETIC PROPERTIES OF COMPOUNDS Sphaera Pharma Pte. Ltd (SG) 2014-02-12 EP claimed
WO-2012137225-A1 SUBSTITUTED METHYLFORMYL REAGENTS AND METHOD OF USING SAME TO MODIFY PHYSICOCHEMICAL AND/OR PHARMACOKINETIC PROPERTIES OF COMPOUNDS SPHAERA PHARMA PVT. LTD (IN) 2012-10-11 WO claimed
US-20210038628-A1 NANOPARTICLE COMPOSITIONS JANUARY THERAPEUTICS, INC. (US) 2021-02-11 US disclosed
US-20210038628-A1 NANOPARTICLE COMPOSITIONS JANUARY THERAPEUTICS, INC. (US) 2021-02-11 US disclosed
CN-112218533-A Nanoparticle compositions 詹纽瑞治疗公司 2021-01-12 CN disclosed
EP-3758495-A1 NANOPARTICLE COMPOSITIONS January Therapeutics, Inc. (US) 2021-01-06 EP disclosed
US-9359376-B2 Substituted methylformyl reagents and method of using same to modify physicochemical and/or pharmacokinetic properties of compounds SPHAERA PHARMA PTE. LTD (SG) 2016-06-07 US disclosed
US-9359376-B2 Substituted methylformyl reagents and method of using same to modify physicochemical and/or pharmacokinetic properties of compounds SPHAERA PHARMA PTE. LTD (SG) 2016-06-07 US disclosed
US-9359376-B2 Substituted methylformyl reagents and method of using same to modify physicochemical and/or pharmacokinetic properties of compounds SPHAERA PHARMA PTE. LTD (SG) 2016-06-07 US disclosed
US-8859781-B2 No-releasing nonoate(nitrogen-bound)sulfonamide-linked-coxib anti-cancer agents Euclises Pharmaceuticals, Inc. (US) 2014-10-14 US disclosed
US-7825149-B2 Substituted imidazoles PFIZER LIMITED (GB) 2010-11-02 US disclosed
US-20090312326-A1 SUBSTITUTED IMIDAZOLES PFIZER LIMITED (GB) 2009-12-17 US disclosed
US-7592362-B2 Substituted imidazoles PFIZER LIMITED (GB) 2009-09-22 US disclosed
US-7547718-B2 Substituted imidazoles PFIZER LIMITED (GB) 2009-06-16 US disclosed
US-7544706-B2 Substituted imidazoles PFIZER LIMITED (GB) 2009-06-09 US disclosed
US-20080125473-A1 SUBSTITUTED IMIDAZOLES PFIZER LIMITED (GB) 2008-05-29 US disclosed
US-20080119536-A1 SUBSTITUTED IMIDAZOLES PFIZER LIMITED (GB) 2008-05-22 US disclosed
US-20070167506-A1 SUBSTITUTED IMIDAZOLES PFIZER INC. (US) 2007-07-19 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 (6 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-20080125473-A1 SUBSTITUTED IMIDAZOLES ABL1, TYR, CYP3A4 LMNA 3030/4885ALDH1A1 617/4885MIF 70/4885
US-20090312326-A1 SUBSTITUTED IMIDAZOLES ABL1, TYR, CYP3A4 LMNA 3030/4885ALDH1A1 617/4885MIF 70/4885
US-20140121367-A1 SUBSTITUTED METHYLFORMYL REAGENTS AND METHOD OF USING SAME TO MODIFY PHYSICOCHEMICAL AND/OR PHARMACOKINETIC PROPERTIES OF COMPOUNDS TPMT, BHMT2, PFAS LMNA 3888/4885ALDH1A1 524/4885MIF 156/4885
US-20070167506-A1 SUBSTITUTED IMIDAZOLES ABL1, TYR, CYP3A4 LMNA 3030/4885ALDH1A1 617/4885MIF 70/4885
US-20080119536-A1 SUBSTITUTED IMIDAZOLES ABL1, TYR, CYP3A4 LMNA 3030/4885ALDH1A1 617/4885MIF 70/4885
US-20210038628-A1 NANOPARTICLE COMPOSITIONS PTEN, NANP, PLCB3 LMNA 3042/4885ALDH1A1 1140/4885MIF 4531/4885

“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.