SCHEMBL5872014

SCHEMBL5872014

[CH2]c1cc(CCl)c(C)cc1C

nearest known ligand 0.31

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PGK1 P00558 1/20 0.31
PGK2 P07205 1/20 0.31
PON1 P27169 2/20 0.31
KDM4E B2RXH2 1/20 0.31
MAPK1 P28482 1/20 0.31
RAB9A P51151 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL5903257 0.91 ALDH1A1 (0.33) PON1KDM4EMAPK1RAB9AKMT2A
SCHEMBL1336683 0.82 PGK1 (0.42) PGK1PGK2PON1KDM4EMAPK1
SCHEMBL6063365 0.79 ALDH1A1 (0.39) PGK1PGK2PON1KDM4EMAPK1
SCHEMBL442987 0.79 ALDH1A1 (0.42) PGK1PGK2PON1KDM4EMAPK1
SCHEMBL2813643 0.76 CYP3A4 (0.37) MAPK1
SCHEMBL11431032 0.73 CD44 (0.42) PGK1PGK2PON1KDM4EMAPK1
SCHEMBL5872304 0.73 PON1 (0.32) PON1KDM4EMAPK1RAB9AKMT2A
SCHEMBL1871392 0.70 CYP3A4 (0.40) MAPK1
SCHEMBL10718639 0.69 CYP3A4 (0.33) MAPK1
SCHEMBL14044125 0.68 ALOX15 (0.39) KDM4EMAPK1KMT2A

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 PGK1 1306/4885PGK2 1933/4885PON1 176/4885
US-20030171612-A1 Method of preparing retroviral protease inhibitor intermediates ACE, REN, MME PGK1 1138/4885PGK2 1725/4885PON1 162/4885
US-20010047111-A1 Method of preparing retroviral protease inhibitor intermediates ACE, REN, MME PGK1 1138/4885PGK2 1725/4885PON1 162/4885
US-20050131075-A1 Method of preparing retroviral protease inhibitor intermediates ACE, REN, MME PGK1 1046/4885PGK2 1676/4885PON1 133/4885

“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.