SCHEMBL4200100

SCHEMBL4200100

CCCCC(CC)CSSP(=O)(O)C(C)(CC)CCCC

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
ALDH1A1 P00352 3/20 0.34
FDPS P14324 3/20 0.33
CA2 P00918 3/20 0.33
TDP1 Q9NUW8 2/20 0.31
TSHR P16473 2/20 0.31
ATM Q13315 1/20 0.31
CA1 P00915 1/20 0.30

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
SCHEMBL4196725 0.80 CYP3A4 (0.36) CYP3A4L3MBTL1ALDH1A1FDPSCA2
SCHEMBL967555 0.76 CYP3A4 (0.40) CYP3A4L3MBTL1ALDH1A1FDPSCA2
SCHEMBL8855572 0.72 CYP3A4 (0.55) CYP3A4L3MBTL1ALDH1A1FDPSCA2
SCHEMBL4188071 0.71 CYP3A4 (0.34) CYP3A4L3MBTL1ALDH1A1FDPSCA2
SCHEMBL4188104 0.70 ALDH1A1 (0.39) CYP3A4L3MBTL1ALDH1A1FDPSCA2
SCHEMBL4188102 0.70 CYP3A4 (0.40) CYP3A4L3MBTL1ALDH1A1FDPSCA2
SCHEMBL11211294 0.68 ALDH1A1 (0.54) CYP3A4L3MBTL1ALDH1A1CA2TDP1
SCHEMBL8856280 0.68 ALDH1A1 (0.54) CYP3A4L3MBTL1ALDH1A1CA2TDP1
SCHEMBL8467475 0.68 CYP3A4 (0.47) CYP3A4L3MBTL1ALDH1A1FDPSCA2
SCHEMBL2583732 0.68 CYP3A4 (0.47) CYP3A4L3MBTL1ALDH1A1FDPSCA2

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
EP-2029613-B1 NOVEL PHOSPHINIC ACIDS AND THEIR SULFUR DERIVATIVES AND METHODS FOR THEIR PREPARATION CYTEC CANADA INC (CA) 2016-07-20 EP claimed
US-20140275615-A1 NOVEL PHOSPHINIC ACIDS AND THEIR SULFUR DERIVATIVES AND METHODS FOR THEIR PREPARATION CYTEC TECHNOLOGY CORP. (US) 2014-09-18 US claimed
US-20090165598-A1 NOVEL PHOSPHINIC ACIDS AND THEIR SULFUR DERIVATIVES AND METHODS FOR THEIR PREPARATION CYTEC CANADA INC. (CA) 2009-07-02 US claimed

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-20140275615-A1 NOVEL PHOSPHINIC ACIDS AND THEIR SULFUR DERIVATIVES AND METHODS FOR THEIR PREPARATION PHOSPHO1, PRDX2, PRDX1 CYP3A4 4229/4885L3MBTL1 2994/4885ALDH1A1 2940/4885
US-20090165598-A1 NOVEL PHOSPHINIC ACIDS AND THEIR SULFUR DERIVATIVES AND METHODS FOR THEIR PREPARATION PRDX2, PRDX1, PRDX6 CYP3A4 4136/4885L3MBTL1 3111/4885ALDH1A1 2637/4885

“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.