SCHEMBL2294883

SCHEMBL2294883

O=C(O)OC(Cl)C(Cl)(Cl)Cl

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.33
LMNA P02545 1/20 0.33
TP53 P04637 1/20 0.33
TSHR P16473 1/20 0.33

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
Hydrochloric Acid SCHEMBL11629040 0.97 LMNA (0.32) ALDH1A1LMNATP53TSHR
SCHEMBL2294879 0.80 LMNA (0.30) LMNA
SCHEMBL1502043 0.78
SCHEMBL1555222 0.77
SCHEMBL27671488 0.76 ALDH1A1 (0.32) ALDH1A1TP53TSHR
SCHEMBL27289664 0.76 LMNA (0.32) LMNATSHR
SCHEMBL11377840 0.76 LMNA (0.32) ALDH1A1LMNATSHR
SCHEMBL4335657 0.76 LMNA (0.32) ALDH1A1LMNATSHR
SCHEMBL20118113 0.76 TSHR (0.43) ALDH1A1LMNATSHR
SCHEMBL7940239 0.76

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
EP-2364159-A1 DEUTERATED MACROCYCLIC INHIBITORS OF VIRAL NS3 PROTEASE CONCERT PHARMACEUTICALS, INC. (US) 2011-09-14 EP disclosed
US-20110196012-A1 DEUTERATED MACROCYCLIC INHIBITORS OF VIRAL NS3 PROTEASE CONCERT PHARMACEUTICALS, INC. (US) 2011-08-11 US disclosed
WO-2010048468-A1 DEUTERATED MACROCYCLIC INHIBITORS OF VIRAL NS3 PROTEASE CONCERT PHARMACEUTICALS, INC. (US) 2010-04-29 WO disclosed
US-6444825-B1 CHEMICAL INTERMEDIATE FOR TAXOL AVENTIS PHARMA S.A. (FR) 2002-09-03 US disclosed
US-6043375-A Process for the preparation of an oxazolidinecarboxylic acid which is useful for preparing therapeutically active taxoids RHONE-POULENC RORER S.A. (FR) 2000-03-28 US disclosed
EP-0583338-B1 METHOD FOR SYNTHESIZING PEPTIDES, NOVEL AMINO ACID DERIVATIVES USED THEREIN, AND METHODS FOR PREPARING SAME PROPEPTIDE SA (FR) 1997-03-12 EP disclosed
EP-0583338-A1 METHOD FOR SYNTHESIZING PEPTIDES, NOVEL AMINO ACID DERIVATIVES USED THEREIN, AND METHODS FOR PREPARING SAME. PROPEPTIDE SA (FR) 1994-02-23 EP disclosed
WO-1992019643-A1 METHOD FOR SYNTHESIZING PEPTIDES, NOVEL AMINO ACID DERIVATIVES USED THEREIN, AND METHODS FOR PREPARING SAME PROPEPTIDE (FR) 1992-11-12 WO disclosed
US-4960881-A REACTING AMINO ACID WITH ALPHA-CHLORINATED CARBONATE IN SOLVENT IN PRESENCE OF ACID SCAVENGER SOCIETE NATIONALE DES POUDRES ET EXPLOSIFS (FR) 1990-10-02 US disclosed
US-4652665-A BLOCK AMINE FUNCTION OF AMINO ACIDS; PEPTIDE SYNTHESIS SOCIETE NATIONALE DES POUDRES ET EXPLOSIFS (FR) 1987-03-24 US disclosed
US-4067726-A 3-Ureido phenylacetamide herbicides BAYER AKTIENGESELLSCHAFT (DT) 1978-01-10 US disclosed
US-3989710-A POSTEMERGENCE HERBICIDES BAYER AKTIENGESELLSCHAFT (DT) 1976-11-02 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 (1 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-20110196012-A1 DEUTERATED MACROCYCLIC INHIBITORS OF VIRAL NS3 PROTEASE DPP3, SPINT2, DPP4 ALDH1A1 2299/4885LMNA 2871/4885TP53 1824/4885

“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.