SCHEMBL3899697

SCHEMBL3899697

O=C(O)CCNCC(=O)N1CCc2cc(CCc3cc(-c4ccccc4)c(C(F)(F)F)s3)ccc21

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.42
CYP3A4 P08684 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
S1PR1 P21453 15/20 0.40
S1PR4 O95977 10/20 0.40
S1PR5 Q9H228 10/20 0.40
S1PR3 Q99500 7/20 0.40
TP53 P04637 1/20 0.39
CYP2C9 P11712 1/20 0.38
ALDH1A1 P00352 1/20 0.37

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
SCHEMBL3912963 0.86 S1PR1 (0.48) LMNACYP3A4L3MBTL1S1PR1S1PR4
SCHEMBL13598591 0.82 S1PR1 (0.48) LMNACYP3A4L3MBTL1S1PR1S1PR4
SCHEMBL3901027 0.82 S1PR1 (0.48) S1PR1S1PR4S1PR5S1PR3CYP2C9
Hydrochloric Acid SCHEMBL3912875 0.81 S1PR1 (0.48) LMNACYP3A4L3MBTL1S1PR1S1PR4
SCHEMBL13598221 0.80 S1PR1 (0.41) LMNAS1PR1S1PR4S1PR5S1PR3
SCHEMBL3915392 0.80 S1PR1 (0.50) LMNACYP3A4L3MBTL1S1PR1S1PR4
SCHEMBL3909426 0.80 DHODH (0.49) S1PR1S1PR4S1PR5S1PR3TP53
Hydrochloric Acid SCHEMBL3915095 0.80 S1PR1 (0.40) LMNAS1PR1S1PR4S1PR5S1PR3
SCHEMBL3899114 0.79 S1PR1 (0.46) S1PR1S1PR4S1PR5S1PR3
Hydrochloric Acid SCHEMBL4416508 0.78 S1PR1 (0.46) LMNACYP3A4L3MBTL1S1PR1S1PR4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090324581-A1 HETEROARYLAMIDE LOWER CARBOXYLIC ACID DERIVATIVE DAIICHI SANKYO COMPANY LIMITED (JP) 2009-12-31 US disclosed
US-20090324581-A1 HETEROARYLAMIDE LOWER CARBOXYLIC ACID DERIVATIVE DAIICHI SANKYO COMPANY LIMITED (JP) 2009-12-31 US disclosed
US-20090324581-A1 HETEROARYLAMIDE LOWER CARBOXYLIC ACID DERIVATIVE DAIICHI SANKYO COMPANY LIMITED (JP) 2009-12-31 US disclosed
EP-2017263-A1 HETEROARYLAMIDE LOWER CARBOXYLIC ACID DERIVATIVE Daiichi Sankyo Company, Limited (JP) 2009-01-21 EP disclosed
EP-2017263-A1 HETEROARYLAMIDE LOWER CARBOXYLIC ACID DERIVATIVE Daiichi Sankyo Company, Limited (JP) 2009-01-21 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 (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-20090324581-A1 HETEROARYLAMIDE LOWER CARBOXYLIC ACID DERIVATIVE S1PR3, S1PR2, S1PR1 LMNA 3948/4885CYP3A4 1134/4885L3MBTL1 1651/4885

“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.