SCHEMBL6439010

SCHEMBL6439010

COC(=O)Cc1cccc(-c2ccc(F)cc2F)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.46
DHODH Q02127 1/20 0.46
SLC7A5 Q01650 1/20 0.45
KCNH2 Q12809 1/20 0.44
PDK2 Q15119 1/20 0.43
SYK P43405 1/20 0.43
SHMT1 P34896 1/20 0.43
FAAH O00519 1/20 0.42
PTGS2 P35354 1/20 0.42
HPGD P15428 2/20 0.42
ALDH1A1 P00352 2/20 0.42
KDM4E B2RXH2 1/20 0.42
MEN1 O00255 1/20 0.42
USP2 O75604 1/20 0.42
DHFR P00374 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
LMNA P02545 1/20 0.42
TTR P02766 1/20 0.42
ALB P02768 1/20 0.42

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
SCHEMBL29255229 0.88 DHODH (0.45) DHODHSLC7A5PDK2SYKFAAH
SCHEMBL15564511 0.83 AKR1C3 (0.51) DHODHSLC7A5PDK2FAAHPTGS2
SCHEMBL4205169 0.82 HPGD (0.52) SLC7A5PDK2FAAHPTGS2HPGD
SCHEMBL74878 0.81 SLC7A5 (0.55) SLC7A5PDK2HPGDALDH1A1KDM4E
SCHEMBL30692683 0.81 SLC7A5 (0.55) SLC7A5PDK2HPGDALDH1A1KDM4E
Methane SCHEMBL9085715 0.81 HPGD (0.51) SLC7A5PDK2FAAHPTGS2HPGD
SCHEMBL1132657 0.80 SYK (0.49) DHODHSLC7A5PDK2SYKHPGD
SCHEMBL3361035 0.79 SLC7A5 (0.54) DHODHSLC7A5PDK2SYKHPGD
SCHEMBL7031826 0.78 HTR7 (0.63) SLC7A5
SCHEMBL29255156 0.77 ALDH1A1 (0.51) DHODHSLC7A5SYKHPGDALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050113331-A1 Compositions and methods for use of antiviral drugs in the treatment of retroviral diseases resistant to nucleoside reverse transcriptase inhibitors NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2005-05-26 US disclosed
WO-2005023270-A2 COMPOSITIONS AND METHODS FOR USE OF ANTIVIRAL DRUGS IN THE TREATMENT OF RETROVIRAL DISEASES RESISTANT TO NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2005-03-17 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-20050113331-A1 Compositions and methods for use of antiviral drugs in the treatment of retroviral diseases resistant to nucleoside reverse transcriptase inhibitors TYMP, TYMS, SAMHD1 CNR1 4184/4885DHODH 196/4885SLC7A5 4168/4885

“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.