SCHEMBL5872407

SCHEMBL5872407

[CH2]c1c(Cl)cc(C(C)=O)cc1Cl

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA5A P35218 1/20 0.46
LMNA P02545 2/20 0.39
TTR P02766 1/20 0.38
TSHR P16473 1/20 0.37
MAPT P10636 4/20 0.34
RAB9A P51151 3/20 0.34
KMT2A Q03164 3/20 0.34
ALDH1A1 P00352 3/20 0.34
MEN1 O00255 2/20 0.34
NPC1 O15118 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
HTT P42858 1/20 0.34
NLRP1 Q9C000 1/20 0.34
HPGD P15428 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
TPMT P51580 1/20 0.33
KDM4E B2RXH2 1/20 0.33
GAA P10253 1/20 0.33
ESRRA P11474 1/20 0.33
MRGPRX4 Q96LA9 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
SCHEMBL7779178 0.80 CA5A (0.50) CA5ALMNATTRTSHRMAPT
SCHEMBL3243039 0.78 TTR (0.62) CA5ALMNATTRTSHRALDH1A1
SCHEMBL10900855 0.78 CA5A (0.48) CA5ALMNATTRTSHRMAPT
SCHEMBL10617304 0.77 CA5A (0.43) CA5ALMNATTRTSHRMAPT
SCHEMBL9417255 0.76 TTR (0.60) CA5ALMNATTRTSHRALDH1A1
SCHEMBL2866567 0.76 HSD11B1 (0.48) CA5ALMNATTRALDH1A1KDM4E
SCHEMBL28319759 0.76 CA5A (0.46) CA5ALMNATTRTSHRMAPT
SCHEMBL15199066 0.76 CA5A (0.46) CA5ALMNATTRTSHRMAPT
SCHEMBL23979099 0.74 TTR (0.46) CA5ALMNATTRTSHRKMT2A
SCHEMBL19512827 0.73 CA5A (0.43) CA5ALMNATTRTSHRKMT2A

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-20060270855-A1 Methods of preparing retroviral proteases inhibitor intermediates G.D. SEARLE & CO. (US) 2006-11-30 US disclosed
US-7060851-B2 Method of preparing retroviral protease inhibitor intermediates G.D. SEARLE & CO. (US) 2006-06-13 US disclosed
US-20050131075-A1 Method of preparing retroviral protease inhibitor intermediates G.D. SEARLE & CO. (US) 2005-06-16 US disclosed
US-6849760-B2 Method of preparing retroviral protease inhibitor intermediates G. D. SEARLE & CO. (US) 2005-02-01 US disclosed
US-20030171612-A1 Method of preparing retroviral protease inhibitor intermediates G.D. SEARLE & CO. 2003-09-11 US disclosed
US-6515162-B2 Precipitating or crystallizing a salt from solution; suitable as intermediates for large scale production of enzyme inhibitors, e.g. hydroxyethylamine, hydroxyethylurea and hydroxyethylsulfonamide G.D. SEARLE & CO. 2003-02-04 US disclosed
US-20010047111-A1 Method of preparing retroviral protease inhibitor intermediates NG JOHN S (US) 2001-11-29 US disclosed
EP-0804410-B1 METHOD OF PREPARING RETROVIRAL PROTEASE INHIBITOR INTERMEDIATES SEARLE & CO (US) 2001-08-29 EP disclosed
US-6201150-B1 DIASTEREOMER PURIFICATION METHOD COMPRISING PREPARING AN ORGANIC ACID OR INORGANIC ACID SALT OF AN AMINO COMPOUND AND PRECIPITATING OR CRYSTALLIZING SAID SALT FROM A SOLUTION G.D. SEARLE & CO. 2001-03-13 US disclosed
US-5831117-A ACID SALTS G. D. SEARLE & CO. (US) 1998-11-03 US disclosed
EP-0804410-A1 METHOD OF PREPARING RETROVIRAL PROTEASE INHIBITOR INTERMEDIATES G.D. SEARLE & CO. (US) 1997-11-05 EP disclosed
WO-1996022275-A1 METHOD OF PREPARING RETROVIRAL PROTEASE INHIBITOR INTERMEDIATES G.D. SEARLE & CO. (US) 1996-07-25 WO 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-20060270855-A1 Methods of preparing retroviral proteases inhibitor intermediates ACE, REN, MME CA5A 3340/4885LMNA 3320/4885TTR 1000/4885
US-20030171612-A1 Method of preparing retroviral protease inhibitor intermediates ACE, REN, MME CA5A 3509/4885LMNA 3199/4885TTR 1079/4885
US-20010047111-A1 Method of preparing retroviral protease inhibitor intermediates ACE, REN, MME CA5A 3509/4885LMNA 3199/4885TTR 1079/4885
US-20050131075-A1 Method of preparing retroviral protease inhibitor intermediates ACE, REN, MME CA5A 3357/4885LMNA 3024/4885TTR 1154/4885

“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.