SCHEMBL1699004

SCHEMBL1699004

CCCCC(CC)COP(O)(F)=S

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 6/20 0.58
L3MBTL1 Q9Y468 1/20 0.58
TSHR P16473 4/20 0.45
TDP1 Q9NUW8 2/20 0.45
ATM Q13315 1/20 0.45
ALDH1A1 P00352 7/20 0.44
CA2 P00918 3/20 0.40
RECQL P46063 1/20 0.38
LMNA P02545 2/20 0.36
MMP9 P14780 1/20 0.36
MMP8 P22894 1/20 0.36
MMP14 P50281 1/20 0.36
LPAR2 Q9HBW0 3/20 0.36
LPAR3 Q9UBY5 3/20 0.36
MAPK1 P28482 1/20 0.35
HSD17B10 Q99714 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
SCHEMBL6909734 0.85 CYP3A4 (0.61) CYP3A4L3MBTL1TSHRTDP1ATM
SCHEMBL12038324 0.85 CYP3A4 (0.61) CYP3A4L3MBTL1TSHRTDP1ATM
SCHEMBL599571 0.85 CYP3A4 (0.61) CYP3A4L3MBTL1TSHRTDP1ATM
SCHEMBL9497372 0.84 CYP3A4 (0.59) CYP3A4L3MBTL1TSHRTDP1ATM
SCHEMBL27358148 0.84 CYP3A4 (0.59) CYP3A4L3MBTL1TSHRTDP1ATM
SCHEMBL4650272 0.84 CYP3A4 (0.59) CYP3A4L3MBTL1TSHRTDP1ATM
SCHEMBL4446173 0.82 CYP3A4 (0.58) CYP3A4L3MBTL1TSHRTDP1ATM
SCHEMBL284454 0.81 CYP3A4 (0.66) CYP3A4L3MBTL1TSHRTDP1ATM
Water SCHEMBL28800711 0.81 CYP3A4 (0.56) CYP3A4L3MBTL1TSHRTDP1ATM
SCHEMBL27544223 0.81 CYP3A4 (0.56) CYP3A4L3MBTL1TSHRTDP1ATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8791056-B2 Alkylphosphorofluoridothioates having low wear volume and methods for synthesizing and using same BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2014-07-29 US disclosed
US-20110319303-A1 ALKYLPHOSPHOROFLUORIDOTHIOATES HAVING LOW WEAR VOLUME AND METHODS FOR SYNTHESIZING AND USING SAME BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2011-12-29 US disclosed
WO-2011163592-A2 ALKYLPHOSHOROFLUORIDOTHIOATES HAVING LOW WEAR VOLUME AND METHODS FOR SYNTHESIZING AND USING SAME BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2011-12-29 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-20110319303-A1 ALKYLPHOSPHOROFLUORIDOTHIOATES HAVING LOW WEAR VOLUME AND METHODS FOR SYNTHESIZING AND USING SAME ACR, MTAP, PLTP CYP3A4 3179/4885L3MBTL1 2059/4885TSHR 1627/4885

“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.