SCHEMBL1152680

SCHEMBL1152680

CC(C)CCC1(C(F)(F)F)OCC(=O)Nc2ccc(F)cc21

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PGR P06401 13/20 0.46
KMT2A Q03164 1/20 0.40
HDAC1 Q13547 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
ELOVL6 Q9H5J4 3/20 0.35
NR3C2 P08235 1/20 0.35
CYP1A2 P05177 1/20 0.34
MAPT P10636 1/20 0.34
CYP2C19 P33261 1/20 0.34

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
SCHEMBL1153318 0.86 ELOVL6 (0.39) PGRELOVL6MAPT
SCHEMBL1152289 0.75 PGR (0.46) PGRKMT2ACYP1A2MAPTCYP2C19
SCHEMBL1152685 0.73 PGR (0.46) PGRKMT2ANR3C2CYP1A2MAPT
SCHEMBL1152688 0.73 PGR (0.46) PGRKMT2ANR3C2CYP1A2MAPT
SCHEMBL7650332 0.73 CYP46A1 (0.47) PGRELOVL6MAPT
SCHEMBL1152420 0.63 PGR (0.49) PGRELOVL6MAPT
SCHEMBL1152913 0.63 PGR (0.49) PGRELOVL6MAPT
SCHEMBL4910038 0.63 PGR (1.00) PGRNR3C2
SCHEMBL5643759 0.62 PGR (0.51) PGRKMT2AHDAC1HDAC8HDAC6
SCHEMBL1152462 0.61 CYP46A1 (0.59) PGRELOVL6MAPT

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6489320-B1 NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITOR AND BENZOXAPINONE FOR TREATMENT OF HIV INFECTION BRISTOL-MYERS SQUIBB PHARMA COMPANY 2002-12-03 US claimed
US-20130289024-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF FILOVIRUS-MEDIATED DISEASES U.S. ARMY MEDICAL RESEARCH AND MATERIEL COMMAND 2013-10-31 US disclosed
US-8475804-B2 Compositions and methods for treatment of filovirus-mediated diseases U.S. ARMY MEDICAL RESEARCH AND MATERIAL COMMAND (US) 2013-07-02 US disclosed
US-20110028564-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF FILOVIRUS-MEDIATED DISEASES ZALICUS INC. 2011-02-03 US disclosed
US-6489320-B1 NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITOR AND BENZOXAPINONE FOR TREATMENT OF HIV INFECTION BRISTOL-MYERS SQUIBB PHARMA COMPANY 2002-12-03 US disclosed
US-6140320-A FOR TREATING HIV(HUMAN IMMUNODEFICIENCY VIRUS) INFECTIONS DUPONT PHARMACEUTICALS COMPANY (US) 2000-10-31 US disclosed
EP-1009742-A1 5,5-DISUBSTITUTED-1,5-DIHYDRO-4,1-BENZOXAZEPIN-2(3H)-ONES USEFUL AS HIV REVERSE TRANSCRIPTASE INHIBITORS Du Pont Pharmaceuticals Company (US) 2000-06-21 EP disclosed
WO-1999011635-A1 5,5-DISUBSTITUTED-1,5-DIHYDRO-4,1-BENZOXAZEPIN-2(3H)-ONES USEFUL AS HIV REVERSE TRANSCRIPTASE INHIBITORS DU PONT PHARMACEUTICALS COMPANY (US) 1999-03-11 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 (2 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-20110028564-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF FILOVIRUS-MEDIATED DISEASES FLNA, FLNB, PIGS PGR 3332/4885KMT2A 3886/4885HDAC1 2938/4885
US-20130289024-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF FILOVIRUS-MEDIATED DISEASES FLNA, FLNB, PIGS PGR 3332/4885KMT2A 3886/4885HDAC1 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.