SCHEMBL6929306

SCHEMBL6929306

CCCCC(CF)S(=O)(=O)C(CF)CCCC

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FAAH O00519 2/20 0.36
TP53 P04637 1/20 0.35
DNM1 Q05193 2/20 0.35
CA2 P00918 4/20 0.34
CA1 P00915 2/20 0.34
TSHR P16473 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
FDPS P14324 1/20 0.34
MMP1 P03956 4/20 0.33
MMP7 P09237 4/20 0.33
MMP12 P39900 4/20 0.33
MMP13 P45452 4/20 0.33
ACE P12821 2/20 0.33
ECE1 P42892 1/20 0.33
CA9 Q16790 1/20 0.33
MAPK1 P28482 1/20 0.33

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
SCHEMBL9634438 0.82 TSHR (0.41) TP53DNM1CA2CA1TSHR
SCHEMBL1821175 0.78 MMP1 (0.36) TP53DNM1CA2CA1TSHR
SCHEMBL10770770 0.77 TP53 (0.46) FAAHTP53CA2CA1FDPS
SCHEMBL11046101 0.76 TP53 (0.33) TP53DNM1CA2CA1TSHR
SCHEMBL28274457 0.73 TP53 (0.43) FAAHTP53CA2CA1FDPS
SCHEMBL15825362 0.73 TSHR (0.36) FAAHTP53DNM1CA2CA1
SCHEMBL4132556 0.73
SCHEMBL21084338 0.72 TP53 (0.37) TP53DNM1CA2CA1TSHR
SCHEMBL27289489 0.72 TP53 (0.37) TP53DNM1CA2CA1TSHR
SCHEMBL6201439 0.72 TP53 (0.46) TP53DNM1CA2CA1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040063659-A1 Novel 2'-halomethylidene,2'-ethenylidene and 2'-ethynyl cytidine, uridine and guanosine derivatives MERRELL PHARMACEUTICALS INC. 2004-04-01 US disclosed
US-20030109484-A1 Novel 2'-halomethylidene, 2'-ethenylidene and 2'ethynyl cytidine, uridine and guanosine derivatives MCCARTHY JAMES R (US) 2003-06-12 US disclosed
US-5977325-A NUCLEOSIDE DERIVATIVES USEFUL AS ANTICARCINOGENIC/ANTITUMOR AGENTS AND VIRICIDES MERRELL PHARMACEUTICALS INC. (US) 1999-11-02 US disclosed
US-5792841-A ANTIVIRAL, ANTINEOPLASTIC AGENTS MERRELL PHARMACEUTICALS INC. (US) 1998-08-11 US disclosed
US-5616702-A ANTITUMOR AGENTS, VIRICIDES MERRELL PHARMACEUTICALS INC. (US) 1997-04-01 US disclosed
US-5607925-A Treatment of carcinoma by administration of 2'-halomethylidenyl-2'-deoxynucleosides MERRELL PHARMACEUTICALS INC. (US) 1997-03-04 US disclosed
US-5378693-A Antitumor agents or viricides MERRELL DOW PHARMACEUTICALS INC. (US) 1995-01-03 US disclosed
EP-0372268-B1 Novel 2'-halomethylidene, 2'-ethenylidene and 2'-ethynyl cytidine, uridine and guanosine derivatives MERRELL DOW PHARMA (US) 1994-05-04 EP disclosed
EP-0372268-A1 Novel 2'-halomethylidene, 2'-ethenylidene and 2'-ethynyl cytidine, uridine and guanosine derivatives MERRELL DOW PHARMACEUTICALS INC. (US) 1990-06-13 EP 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-20040063659-A1 Novel 2'-halomethylidene,2'-ethenylidene and 2'-ethynyl cytidine, uridine and guanosine derivatives UMPS, NUDT14, NUDT1 FAAH 4111/4885TP53 402/4885DNM1 3217/4885
US-20030109484-A1 Novel 2'-halomethylidene, 2'-ethenylidene and 2'ethynyl cytidine, uridine and guanosine derivatives UMPS, NUDT1, NUDT14 FAAH 3997/4885TP53 450/4885DNM1 3051/4885

“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.