SCHEMBL3098737

SCHEMBL3098737

CC(C)Cc1ccc(-c2nc(-c3cccc(CNC4CC(C(=O)O)C4)c3)no2)cc1

nearest known ligand 0.65

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 16/20 0.65
S1PR4 O95977 12/20 0.58
S1PR5 Q9H228 12/20 0.58
S1PR3 Q99500 6/20 0.58
MAP4K4 O95819 3/20 0.45
MINK1 Q8N4C8 3/20 0.45
DYRK3 O43781 2/20 0.44
MARK3 P27448 2/20 0.44
PLK1 P53350 2/20 0.44
MAP4K5 Q9Y4K4 2/20 0.44
PRKD1 Q15139 1/20 0.43
ERBB2 P04626 1/20 0.42
PIM1 P11309 1/20 0.42
CAMK2B Q13554 1/20 0.42
CDC42BPA Q5VT25 1/20 0.42
PIM3 Q86V86 1/20 0.42
SRPK1 Q96SB4 1/20 0.42
MKNK2 Q9HBH9 1/20 0.42
MAP3K20 Q9NYL2 1/20 0.42

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
SCHEMBL3098732 1.00 S1PR1 (0.65) S1PR1S1PR4S1PR5S1PR3MAP4K4
SCHEMBL3456510 0.90 S1PR1 (0.75) S1PR1S1PR4S1PR5S1PR3
SCHEMBL3456671 0.90 S1PR1 (0.75) S1PR1S1PR4S1PR5S1PR3
SCHEMBL3456507 0.90 S1PR1 (0.75) S1PR1S1PR4S1PR5S1PR3
SCHEMBL3456666 0.90 S1PR1 (0.75) S1PR1S1PR4S1PR5S1PR3
SCHEMBL3457174 0.90 S1PR1 (0.75) S1PR1S1PR4S1PR5S1PR3
SCHEMBL3456549 0.90 S1PR1 (0.51) S1PR1S1PR4S1PR5S1PR3MAP4K4
SCHEMBL3456527 0.90 S1PR1 (0.51) S1PR1S1PR4S1PR5S1PR3MAP4K4
Hydrochloric Acid SCHEMBL3457137 0.89 S1PR1 (0.74) S1PR1S1PR4S1PR5S1PR3
Hydrochloric Acid SCHEMBL3457138 0.89 S1PR1 (0.74) S1PR1S1PR4S1PR5S1PR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2258700-A1 Cycloalkylamino acid derivatives and pharmaceutical compositions thereof Pfizer Products Inc. (US) 2010-12-08 EP claimed
US-20070270438-A1 CYCLOALKYLAMINO ACID DERIVATIVES PFIZER INC 2007-11-22 US claimed
EP-2258700-A1 Cycloalkylamino acid derivatives and pharmaceutical compositions thereof Pfizer Products Inc. (US) 2010-12-08 EP disclosed
US-20100234435-A1 CYCLOALKYLAMINO ACID DERIVATIVES BHATTACHARYA SAMIT K 2010-09-16 US disclosed
EP-2209771-A1 CYCLOBUTYL CARBOXYLIC ACID DERIVATIVES Pfizer, Inc. (US) 2010-07-28 EP disclosed
US-20100120794-A1 Cycloalkylamino Acid Derivatives BHATTACHARYA SAMIT KUMAR 2010-05-13 US disclosed
US-7671043-B2 Cycloalkylamino acid derivatives PFIZER INC (US) 2010-03-02 US disclosed
US-20090227641-A1 CYCLOALKYLAMINO ACID DERIVATIVES PFIZER, INC. 2009-09-10 US disclosed
WO-2009060278-A1 CYCLOBUTYL CARBOXYLIC ACID DERIVATIVES PFIZER INC. (US) 2009-05-14 WO disclosed
EP-2021338-A1 CYCLOALKYLAMINO ACID DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS THEREOF Pfizer Products Inc. (US) 2009-02-11 EP disclosed
WO-2007132307-A1 CYCLOALKYLAMINO ACID DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS THEREOF PFIZER PRODUCTS INC. (US) 2007-11-22 WO disclosed
US-20070270438-A1 CYCLOALKYLAMINO ACID DERIVATIVES PFIZER INC 2007-11-22 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 (4 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-20100120794-A1 Cycloalkylamino Acid Derivatives CCND1, CCND2, CCND3 S1PR1 104/4885S1PR4 254/4885S1PR5 248/4885
US-20100234435-A1 CYCLOALKYLAMINO ACID DERIVATIVES CCNI, CCNA1, PCNA S1PR1 245/4885S1PR4 686/4885S1PR5 363/4885
US-20070270438-A1 CYCLOALKYLAMINO ACID DERIVATIVES CCND1, CCND2, CCND3 S1PR1 104/4885S1PR4 254/4885S1PR5 248/4885
US-20090227641-A1 CYCLOALKYLAMINO ACID DERIVATIVES CCNI, CCNA1, PCNA S1PR1 245/4885S1PR4 686/4885S1PR5 363/4885

“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.