SCHEMBL7422332

SCHEMBL7422332

CCCOC(=O)NCc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.55
PLAU P00749 1/20 0.54
PPID Q08752 1/20 0.53
LMNA P02545 1/20 0.51
L3MBTL1 Q9Y468 2/20 0.51
EPHX2 P34913 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2C19 P33261 1/20 0.51
ALDH1A1 P00352 1/20 0.50
RIPK1 Q13546 1/20 0.50
MAPT P10636 2/20 0.49

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
SCHEMBL3806762 0.90 EPHX2 (0.56) PPIDLMNAL3MBTL1EPHX2CYP3A4
SCHEMBL18124427 0.90 HDAC1 (0.51) HDAC1PLAUPPIDLMNAEPHX2
SCHEMBL5803249 0.89 NPC1 (0.62) LMNAEPHX2CYP3A4ALDH1A1
SCHEMBL18124428 0.88 TSHR (0.51) HDAC1EPHX2CYP3A4CYP2C19ALDH1A1
SCHEMBL28969034 0.87 NPC1 (0.63) LMNAEPHX2CYP3A4ALDH1A1
SCHEMBL28969065 0.87 NPC1 (0.63) LMNAEPHX2CYP3A4ALDH1A1
SCHEMBL8773507 0.87 NPC1 (0.63) LMNAEPHX2CYP3A4ALDH1A1
SCHEMBL27621693 0.87 NPC1 (0.63) LMNAEPHX2CYP3A4ALDH1A1
SCHEMBL29106946 0.87 NPC1 (0.63) LMNAEPHX2CYP3A4ALDH1A1
SCHEMBL28105060 0.87 NPC1 (0.63) LMNAEPHX2CYP3A4ALDH1A1

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-9817156-B2 Polarizing plate protective film, polarizing plate and display device FUJIFILM CORPORATION (JP) 2017-11-14 US disclosed
CN-104302290-A Hepatitis c virus inhibitors BRISTOL MYERS SQUIBB CO 2015-01-21 CN disclosed
US-20100056497-A1 AMIDE DERIVATIVE DAINIPPON SUMITOMO PHARMA CO., LTD (JP) 2010-03-04 US disclosed
US-20100056497-A1 AMIDE DERIVATIVE DAINIPPON SUMITOMO PHARMA CO., LTD (JP) 2010-03-04 US disclosed
CN-100537523-C Phenylamide and pyridylamide beta-secretase inhibitors for the treatment of alzheimer's disease MERCK & CO INC (US) 2009-09-09 CN disclosed
CN-100516034-C Aspartyl protease inhibitors VERTEX PHARMA CO LTD (US) 2009-07-22 CN disclosed
CN-101245058-A Inhibitors of aspartyl protease VERTEX PHARMA (US) 2008-08-20 CN disclosed
CN-1898199-A Phenylamide and pyridylamide beta-secretase inhibitors for the treatment of alzheimer's disease MERCK & CO INC (US) 2007-01-17 CN disclosed
CN-1361765-A Aspartyl protease inhibitors VERTEX PHARMA (US) 2002-07-31 CN disclosed
EP-0861249-A1 SUBSTITUTED SULFONYLALKANOYLAMINO HYDROXYETHYLAMINO SULFONAMIDE RETROVIRAL PROTEASE INHIBITORS G.D. SEARLE & CO. (US) 1998-09-02 EP disclosed
EP-0804428-A1 BIS-SULFONAMIDE HYDROXYETHYLAMINO RETROVIRAL PROTEASE INHIBITORS G.D. SEARLE & CO. (US) 1997-11-05 EP disclosed
EP-0801083-A2 Improved functionalized resin for chemical synthesis PFIZER INC. (US) 1997-10-15 EP disclosed
WO-1997018205-A1 SUBSTITUTED SULFONYLALKANOYLAMINO HYDROXYETHYLAMINO SULFONAMIDE RETROVIRAL PROTEASE INHIBITORS G.D. SEARLE & CO. (US) 1997-05-22 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 (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-20100056497-A1 AMIDE DERIVATIVE REN, AGTR1, AGTR2 HDAC1 70/4885PLAU 2395/4885PPID 2938/4885

“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.