SCHEMBL3970115

SCHEMBL3970115

CCCCONC(C)C(=O)OP(=O)(Cl)Oc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.39
RECQL P46063 1/20 0.39
PRTN3 P24158 1/20 0.38
HDAC3 O15379 1/20 0.37
FAAH O00519 2/20 0.37
ELANE P08246 1/20 0.37
BTN3A1 O00481 4/20 0.36
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL3970116 1.00 TSHR (0.39) TSHRRECQLPRTN3HDAC3FAAH
SCHEMBL7022520 0.97 NPC1 (0.38) TSHRPRTN3FAAH
SCHEMBL7024859 0.95 FAAH (0.39) TSHRFAAH
SCHEMBL7027815 0.93 PRTN3 (0.39) PRTN3ELANEBTN3A1
SCHEMBL7771218 0.90 HPGD (0.39) PRTN3ELANEBTN3A1TDP1
SCHEMBL7771222 0.89 PPARG (0.40) TSHRRECQLPRTN3HDAC3FAAH
SCHEMBL873273 0.88 BTN3A1 (0.41) PRTN3ELANEBTN3A1L3MBTL1
SCHEMBL3971351 0.88 BTN3A1 (0.41) PRTN3ELANEBTN3A1L3MBTL1
SCHEMBL7026839 0.86 ELANE (0.41) PRTN3ELANE
SCHEMBL7027694 0.83 SMN1; SMN2 (0.41) TSHRRECQLPRTN3HDAC3ELANE

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
WO-2009052050-A1 DIOXOLANE THYMINE PHOSPHORAMIDATES AS ANTI-HIV AGENTS PHARMASSET, INC. (US) 2009-04-23 WO disclosed
US-20090099136-A1 DIOXOLANE THYMINE PHOSPHORAMIDATES AS ANTI-HIV AGENTS PHARMASSET, INC. (US) 2009-04-16 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 (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-20090099136-A1 DIOXOLANE THYMINE PHOSPHORAMIDATES AS ANTI-HIV AGENTS TYMP, DTYMK, TYMS TSHR 4313/4885RECQL 711/4885PRTN3 583/4885

“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.