SCHEMBL1152941

SCHEMBL1152941

O=C1COC(C=Cc2ccco2)(C(F)(F)F)c2cc(Cl)ccc2N1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PGR P06401 13/20 0.46
RPS6KA3 P51812 1/20 0.41
CTDSP1 Q9GZU7 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CYP46A1 Q9Y6A2 2/20 0.38
NR3C1 P04150 2/20 0.36
AKR1C3 P42330 1/20 0.36
MAPT P10636 2/20 0.35
NPSR1 Q6W5P4 2/20 0.35
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
POLB P06746 1/20 0.35
ALOX15 P16050 1/20 0.35
BRCA1 P38398 1/20 0.35
KMT2A Q03164 1/20 0.35
HSD17B10 Q99714 1/20 0.35
NR1I2 O75469 1/20 0.35
ADRB1 P08588 1/20 0.35

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
SCHEMBL1152939 1.00 PGR (0.46) PGRRPS6KA3CTDSP1TDP1L3MBTL1
SCHEMBL7657239 0.80 RPS6KA3 (0.40) PGRRPS6KA3CTDSP1TDP1L3MBTL1
SCHEMBL7656306 0.80 RPS6KA3 (0.40) PGRRPS6KA3CTDSP1TDP1L3MBTL1
SCHEMBL1153433 0.79 PGR (0.42) PGRCYP46A1NR3C1AKR1C3MAPT
SCHEMBL1153169 0.79 CYP46A1 (0.45) PGRCYP46A1NR3C1AKR1C3MAPT
SCHEMBL1153437 0.79 PGR (0.42) PGRCYP46A1NR3C1AKR1C3MAPT
SCHEMBL1153171 0.79 CYP46A1 (0.45) PGRCYP46A1NR3C1AKR1C3MAPT
Pyridine SCHEMBL1152881 0.74 PGR (0.42) PGRCYP46A1NR3C1AKR1C3MAPT
SCHEMBL1152688 0.67 PGR (0.46) PGRMAPTKMT2A
SCHEMBL1152685 0.67 PGR (0.46) PGRMAPTKMT2A

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 6 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

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 3332/4885RPS6KA3 2229/4885CTDSP1 1609/4885
US-20130289024-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF FILOVIRUS-MEDIATED DISEASES FLNA, FLNB, PIGS PGR 3332/4885RPS6KA3 2229/4885CTDSP1 1609/4885

“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.