SCHEMBL4119686

SCHEMBL4119686

COC(=O)NC(=O)C(Cl)(Cl)Cl

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.46
ALDH1A1 P00352 5/20 0.32
LMNA P02545 2/20 0.32
HPGD P15428 1/20 0.32
ALOX15 P16050 1/20 0.32
HSD17B10 Q99714 1/20 0.32
TP53 P04637 1/20 0.32
TSHR P16473 1/20 0.32
MAPT P10636 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL19500078 0.78 L3MBTL1 (0.38) L3MBTL1
SCHEMBL4119682 0.77 L3MBTL1 (0.35) L3MBTL1ALDH1A1TP53TSHR
SCHEMBL10360055 0.77 ALDH1A1 (0.41) L3MBTL1ALDH1A1LMNAALOX15HSD17B10
SCHEMBL19508784 0.77 HTT (0.41) L3MBTL1HPGDALOX15TSHRSMN1; SMN2
SCHEMBL712181 0.76 ALDH1A1 (0.44) L3MBTL1ALDH1A1HPGDTP53TSHR
SCHEMBL6970957 0.76 CYP1A2 (0.40) L3MBTL1ALDH1A1LMNAHPGDALOX15
SCHEMBL6955786 0.73 L3MBTL1 (0.42) L3MBTL1
SCHEMBL862169 0.73
SCHEMBL13436162 0.72 CRBN (0.41) L3MBTL1ALDH1A1HPGDTP53TSHR
SCHEMBL19509268 0.72 L3MBTL1 (0.33) L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090004140-A1 4-SUBSTITUTED PYRROLIDINE AS ANTI-INFECTIVES ENANTA PHARMACEUTICALS, INC. 2009-01-01 US claimed
WO-2009003009-A1 SUBSTITUTED PYRROLIDINE AS ANTI-INFECTIVES ENANTA PHARMACEUTICALS, INC. (US) 2008-12-31 WO claimed
US-20180186808-A1 NARGENICIN COMPOUNDS AND USES THEREOF AS ANTIBACTERIAL AGENTS MERCK SHARP & DOHME LLC 2018-07-05 US disclosed
US-20180186808-A1 NARGENICIN COMPOUNDS AND USES THEREOF AS ANTIBACTERIAL AGENTS MERCK SHARP & DOHME LLC 2018-07-05 US disclosed
US-9944654-B2 Nargenicin compounds and uses thereof as antibacterial agents MERCK SHARP & DOHME CORP. (US) 2018-04-17 US disclosed
US-20170305924-A1 NARGENICIN COMPOUNDS AND USES THEREOF AS ANTIBACTERIAL AGENTS MERCK SHARP & DOHME CORP. (US) 2017-10-26 US disclosed
US-20090004140-A1 4-SUBSTITUTED PYRROLIDINE AS ANTI-INFECTIVES ENANTA PHARMACEUTICALS, INC. 2009-01-01 US disclosed
WO-2009003009-A1 SUBSTITUTED PYRROLIDINE AS ANTI-INFECTIVES ENANTA PHARMACEUTICALS, INC. (US) 2008-12-31 WO disclosed
EP-1329160-A2 4-ACYLAMINOPYRAZOLE DERIVATIVES Sankyo Company, Limited (JP) 2003-07-23 EP disclosed
US-4729991-A SUBSTITUTED BY HETEROCYCLIC THIOMETHYL GROUP FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1988-03-08 US disclosed
US-4703046-A Cephem compounds and processes for preparation thereof FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1987-10-27 US disclosed
US-4216215-A 7[(Furanyl-2-acetamido)-2-acetamido]cephalosporin derivatives PFIZER INC. (US) 1980-08-05 US disclosed
US-4137312-A Epoxy substituted cephalosporin derivatives PFIZER INC. (US) 1979-01-30 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 (3 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-20180186808-A1 NARGENICIN COMPOUNDS AND USES THEREOF AS ANTIBACTERIAL AGENTS NRDC, MME, NME2 L3MBTL1 4584/4885ALDH1A1 2012/4885LMNA 2634/4885
US-20170305924-A1 NARGENICIN COMPOUNDS AND USES THEREOF AS ANTIBACTERIAL AGENTS NRDC, MME, NME2 L3MBTL1 4584/4885ALDH1A1 2012/4885LMNA 2634/4885
US-20090004140-A1 4-SUBSTITUTED PYRROLIDINE AS ANTI-INFECTIVES EIF2AK2, RNGTT, POLR2E L3MBTL1 2522/4885ALDH1A1 539/4885LMNA 4122/4885

“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.