SCHEMBL3455789

SCHEMBL3455789

CC(C)Cc1ccc(-c2nc(-c3ccc(CO)nc3)no2)cc1

nearest known ligand 0.58

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 18/20 0.58
S1PR4 O95977 9/20 0.50
S1PR5 Q9H228 9/20 0.50
S1PR3 Q99500 6/20 0.50
TPH1 P17752 2/20 0.43

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
SCHEMBL3458655 0.95 S1PR1 (0.55) S1PR1S1PR4S1PR5S1PR3TPH1
SCHEMBL3456126 0.85 S1PR1 (0.49) S1PR1S1PR4S1PR5S1PR3TPH1
SCHEMBL3455754 0.84 S1PR1 (0.59) S1PR1S1PR4S1PR5S1PR3TPH1
SCHEMBL449651 0.84 S1PR1 (0.59) S1PR1S1PR4S1PR5S1PR3TPH1
SCHEMBL3132585 0.82 S1PR1 (0.58) S1PR1S1PR3
SCHEMBL3457539 0.82 S1PR1 (0.53) S1PR1S1PR4S1PR5S1PR3
SCHEMBL3128652 0.82 S1PR1 (0.57) S1PR1S1PR3
SCHEMBL3135853 0.82 S1PR1 (0.57) S1PR1S1PR3
SCHEMBL3456877 0.79 S1PR1 (0.50) S1PR1S1PR4S1PR5S1PR3TPH1
SCHEMBL16591180 0.79 S1PR1 (0.52) S1PR1S1PR4S1PR5S1PR3TPH1

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 6 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 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
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 (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-20100120794-A1 Cycloalkylamino Acid Derivatives CCND1, CCND2, CCND3 S1PR1 104/4885S1PR4 254/4885S1PR5 248/4885
US-20070270438-A1 CYCLOALKYLAMINO ACID DERIVATIVES CCND1, CCND2, CCND3 S1PR1 104/4885S1PR4 254/4885S1PR5 248/4885

“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.