SCHEMBL440297

SCHEMBL440297

CCCCC(F)(F)C(C)CC

nearest known ligand 0.30

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.30
LPAR1 Q92633 1/20 0.30
LPAR3 Q9UBY5 1/20 0.30
TSHR P16473 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL18882261 0.81 MEN1 (0.33)
SCHEMBL21938390 0.79 CES2 (0.32) CES2LPAR1LPAR3TSHR
SCHEMBL21523907 0.78 ALDH1A1 (0.35) CES2LPAR1LPAR3TSHRSMN1; SMN2
SCHEMBL21523908 0.78
SCHEMBL26064066 0.77 CES2 (0.31) CES2LPAR1LPAR3TSHR
SCHEMBL24943408 0.75 TSHR (0.30) TSHR
SCHEMBL16144914 0.74 CES2 (0.32) CES2LPAR1LPAR3TSHR
SCHEMBL5653717 0.74 CES2 (0.32) CES2LPAR1LPAR3TSHR
SCHEMBL13912058 0.73
SCHEMBL9630699 0.72 TSHR (0.31) TSHRSMN1; SMN2

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-9382272-B2 Methods of making lubiprostone and intermediates thereof APOTEX PHARMACHEM INC. (CA) 2016-07-05 US disclosed
US-9382272-B2 Methods of making lubiprostone and intermediates thereof APOTEX PHARMACHEM INC. (CA) 2016-07-05 US disclosed
US-20120065409-A1 METHODS OF MAKING LUBIPROSTONE AND INTERMEDIATES THEREOF APOTEX PHARMACHEM INC. (CA) 2012-03-15 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-20120065409-A1 METHODS OF MAKING LUBIPROSTONE AND INTERMEDIATES THEREOF PTGIS, LSS, SQLE CES2 1201/4885LPAR1 114/4885LPAR3 184/4885

“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.