SCHEMBL7438541

SCHEMBL7438541

O=C(OCc1ccccc1)C(Cc1ccccc1)N(Cc1ccccc1)Cc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CTRB1 P17538 2/20 0.49
ALDH1A1 P00352 4/20 0.47
TDP1 Q9NUW8 2/20 0.46
MAPK1 P28482 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
SLC6A2 P23975 1/20 0.46
SLC6A3 Q01959 1/20 0.46
KMT2A Q03164 1/20 0.46
EPOR P19235 1/20 0.45
LTA4H P09960 1/20 0.45
LAP3 P28838 1/20 0.45
HPGD P15428 1/20 0.43
LMNA P02545 1/20 0.42
HCAR2 Q8TDS4 1/20 0.42
CTSB P07858 1/20 0.42
SLC15A1 P46059 1/20 0.42
CYP1A2 P05177 1/20 0.42
ABCB1 P08183 1/20 0.41

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
SCHEMBL2059549 1.00 CTRB1 (0.49) CTRB1ALDH1A1TDP1MAPK1L3MBTL1
Hydrochloric Acid SCHEMBL28475258 0.98 CTRB1 (0.48) CTRB1ALDH1A1TDP1MAPK1L3MBTL1
SCHEMBL13535120 0.94 LMNA (0.49) CTRB1ALDH1A1TDP1MAPK1L3MBTL1
SCHEMBL2440503 0.92 EPOR (0.43) CTRB1ALDH1A1KMT2AEPORLTA4H
SCHEMBL21295477 0.92 EPOR (0.43) CTRB1ALDH1A1TDP1MAPK1L3MBTL1
SCHEMBL21295478 0.92 EPOR (0.43) CTRB1ALDH1A1TDP1MAPK1L3MBTL1
SCHEMBL13535122 0.92 EPOR (0.46) CTRB1ALDH1A1L3MBTL1EPORLTA4H
Hydrochloric Acid SCHEMBL21295474 0.90 EPOR (0.42) CTRB1ALDH1A1TDP1MAPK1L3MBTL1
SCHEMBL2438787 0.90 LTA4H (0.60) L3MBTL1EPORLTA4HLAP3
SCHEMBL21295480 0.89 EPOR (0.42) CTRB1ALDH1A1TDP1MAPK1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105152978-B A kind of preparation method of the butanol of 3 tert-butoxycarbonylamino of (2R, 3S) 1 chlorine, 4 phenyl 2 上海应用技术学院 2017-08-25 CN claimed
CN-105152978-A Preparation method for (2R,3S)-1-chlorine-3-tert-butoxycarbonylamino-4-phenyl-2-butanol SHANGHAI INST TECHNOLOGY 2015-12-16 CN claimed
CN-105152978-B A kind of preparation method of the butanol of 3 tert-butoxycarbonylamino of (2R, 3S) 1 chlorine, 4 phenyl 2 上海应用技术学院 2017-08-25 CN disclosed
CN-106380412-A Method for synthesizing ritonavir intermediate 中国科学院新疆生态与地理研究所 2017-02-08 CN disclosed
CN-105152978-A Preparation method for (2R,3S)-1-chlorine-3-tert-butoxycarbonylamino-4-phenyl-2-butanol SHANGHAI INST TECHNOLOGY 2015-12-16 CN disclosed
CN-102060732-A 5-amino-4-hydroxy-N-aryl azelamide derivatives as well as preparation methods and medical applications thereof JIANGSU HENGRUI MEDICINE CO 2011-05-18 CN disclosed
US-7649015-B2 Cellular accumulation of phosphonate analogs of HIV protease inhibitor compounds GILEAD SCIENCES, INC. (US) 2010-01-19 US disclosed
US-7649015-B2 Cellular accumulation of phosphonate analogs of HIV protease inhibitor compounds GILEAD SCIENCES, INC. (US) 2010-01-19 US disclosed
US-20070010489-A1 Cellular accumulation of phosphonate analogs of hiv protease inhibitor compounds GILEAD SCIENCES, INC. 2007-01-11 US disclosed
US-6281379-B1 HALOGENATING G-AMINO-B-KETO SULFOXIDE; REACTING WITH ACID AND ALCOHOL; FORMING B-AMINO-A-HYDROXY ACID COMPOUNDS KANEKA CORPORATION (JP) 2001-08-28 US disclosed
EP-1055664-A1 Process for producing norstatin derivatives KANEKA CORPORATION (JP) 2000-11-29 EP disclosed
US-5932766-A Process for the preparation of substituted keto-enamines ABBOTT LABORATORIES (US) 1999-08-03 US disclosed
WO-1998054122-A1 PROCESS FOR THE PREPARATION OF SUBSTITUTED KETO-ENAMINES ABBOTT LABORATORIES (US) 1998-12-03 WO disclosed
EP-0769936-A1 SELF-EMULSIFYING DRUG DELIVERY SYSTEM G.D. SEARLE & CO. (US) 1997-05-02 EP disclosed
EP-0724563-A1 PROCESS FOR THE PREPARATION OF A SUBSTITUTED 2,5-DIAMINO-3-HYDROXYHEXANE ABBOTT LABORATORIES (US) 1996-08-07 EP disclosed
WO-1996003113-A1 SELF-EMULSIFYING DRUG DELIVERY SYSTEM G.D. SEARLE & CO. (US) 1996-02-08 WO disclosed
EP-0674513-A4 1995-10-25 EP disclosed
EP-0674513-A1 RETROVIRAL PROTEASE INHIBITING COMPOUNDS. ABBOTT LAB (US) 1995-10-04 EP disclosed
WO-1994014436-A1 RETROVIRAL PROTEASE INHIBITING COMPOUNDS ABBOTT LABORATORIES (US) 1994-07-07 WO disclosed
US-4990669-A Optically active α-amino aldehydes, process for the preparation thereof, and the use thereof for the stereoselective preparation of optically active β-amino alcohols BAYER AKTIENGESELLSCHAFT (DE) 1991-02-05 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-20070010489-A1 Cellular accumulation of phosphonate analogs of hiv protease inhibitor compounds PPA1, PNP, PPME1 CTRB1 1119/4885ALDH1A1 3337/4885TDP1 607/4885

“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.