SCHEMBL805204

SCHEMBL805204

CN[C@H](Cc1cccc(C)c1)C(=O)O

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.51
CTSB P07858 8/20 0.51
CTSL P07711 5/20 0.50
CTSS P25774 3/20 0.50
L3MBTL1 Q9Y468 1/20 0.49
CTBP2 P56545 1/20 0.49
CTSK P43235 1/20 0.47
PPARG P37231 1/20 0.46
PPARA Q07869 1/20 0.46
FOLH1 Q04609 1/20 0.46
SLC7A5 Q01650 1/20 0.44
SAE1 Q9UBE0 1/20 0.44
UBA2 Q9UBT2 1/20 0.44

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
SCHEMBL11132296 1.00 POLB (0.51) POLBCTSBCTSLCTSSL3MBTL1
SCHEMBL11132299 1.00 POLB (0.51) POLBCTSBCTSLCTSSL3MBTL1
SCHEMBL15179166 0.87 CTSB (0.48) POLBCTSBCTSLCTSSCTBP2
SCHEMBL28068999 0.87 L3MBTL1 (0.56) POLBCTSBCTSLCTSSL3MBTL1
SCHEMBL27915313 0.86 CTSB (0.50) POLBCTSBCTSLCTSSL3MBTL1
SCHEMBL14431606 0.86 CTSB (0.50) POLBCTSBCTSLCTSSCTSK
SCHEMBL14432427 0.86 POLB (0.53) POLBCTSBCTSLCTSSCTSK
SCHEMBL27915315 0.86 CTSB (0.50) POLBCTSBCTSLCTSSL3MBTL1
SCHEMBL9828630 0.84 TACR1 (0.58) POLBCTSBCTSLCTSSL3MBTL1
SCHEMBL31370361 0.84 MEN1 (0.47) POLBL3MBTL1CTBP2

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-20120245040-A1 METHODS FOR SYNTHESIS OF ENCODED LIBRARIES GLAXOSMITHKLINE (US) 2012-09-27 US disclosed
US-20120071329-A1 METHODS FOR IDENTIFYING COMPOUNDS OF INTEREST USING ENCODED LIBRARIES GLAXOSMITHKLINE LLC (US) 2012-03-22 US disclosed
US-20110251089-A1 METHODS FOR SYNTHESIS OF ENCODED LIBRARIES GLAXOSMITHKLINE (US) 2011-10-13 US disclosed
US-7989395-B2 Methods for identifying compounds of interest using encoded libraries GLAXOSMITHKLINE LLC (US) 2011-08-02 US disclosed
US-20090062147-A1 Methods for synthesis of encoded libraries PRAECIS PHARMACEUTICALS INCORPORATED (US) 2009-03-05 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-20120245040-A1 METHODS FOR SYNTHESIS OF ENCODED LIBRARIES RNGTT, DTYMK, DUT POLB 72/4885CTSB 2447/4885CTSL 3370/4885
US-20110251089-A1 METHODS FOR SYNTHESIS OF ENCODED LIBRARIES RNGTT, DTYMK, DUT POLB 72/4885CTSB 2447/4885CTSL 3370/4885

“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.