SCHEMBL4974155

SCHEMBL4974155

CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(C(=O)OCc2ccccc2)CC1

nearest known ligand 0.64

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.64
KMT2A Q03164 2/20 0.56
MEN1 O00255 1/20 0.56
MAPT P10636 1/20 0.56
CTSK P43235 9/20 0.54
CTSL P07711 4/20 0.54
CTSS P25774 2/20 0.54
CTSB P07858 2/20 0.54
P2RX7 Q99572 6/20 0.53
ALDH1A1 P00352 1/20 0.53
LMNA P02545 1/20 0.53

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
SCHEMBL20612380 0.91 P2RX7 (0.63) MAPK1KMT2ACTSKCTSLCTSS
SCHEMBL16466268 0.91 P2RX7 (0.63) MAPK1KMT2ACTSKCTSLCTSS
SCHEMBL4973030 0.91 P2RX7 (0.54) MAPK1KMT2ACTSLCTSSP2RX7
SCHEMBL16466473 0.91 P2RX7 (0.63) MAPK1KMT2ACTSKCTSLCTSS
SCHEMBL16466559 0.89 CTSL (0.53) MAPK1KMT2AMEN1CTSLP2RX7
SCHEMBL16465560 0.89 CTSL (0.53) MAPK1KMT2AMEN1CTSLP2RX7
SCHEMBL27145154 0.89 CTSL (0.53) MAPK1KMT2AMEN1CTSLP2RX7
SCHEMBL13994324 0.88 MAPK1 (0.58) MAPK1KMT2AMEN1MAPTCTSK
SCHEMBL9484498 0.87 P2RX7 (0.62) MAPK1KMT2ACTSKCTSSP2RX7
SCHEMBL9484504 0.87 P2RX7 (0.62) MAPK1KMT2ACTSKCTSSP2RX7

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
US-20080318945-A1 Novel Compounds CASILLAS LINDA N 2008-12-25 US disclosed
US-20080318945-A1 Novel Compounds CASILLAS LINDA N 2008-12-25 US disclosed
US-20080318945-A1 Novel Compounds CASILLAS LINDA N 2008-12-25 US disclosed
EP-1968590-A2 NOVEL COMPOUNDS SmithKline Beecham Corporation (US) 2008-09-17 EP disclosed
WO-2007070865-A2 PIPERAZINE COMPOUNDS AS AGONISTS OF TRPV4 CHANNEL RECEPTORS SMITHKLINE BEECHAM CORPORATION (US) 2007-06-21 WO disclosed
WO-2007070865-A2 PIPERAZINE COMPOUNDS AS AGONISTS OF TRPV4 CHANNEL RECEPTORS SMITHKLINE BEECHAM CORPORATION (US) 2007-06-21 WO 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-20080318945-A1 Novel Compounds TRPV4, TRPV1, TRPV3 MAPK1 1612/4885KMT2A 3532/4885MEN1 1925/4885

“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.