SCHEMBL8558646

SCHEMBL8558646

CCC(=O)C[C@H](NC(=O)C(C)(C)C)c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 1/20 0.55
TSHR P16473 2/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
KMT2A Q03164 4/20 0.42
MEN1 O00255 2/20 0.42
LMNA P02545 3/20 0.42
POLB P06746 2/20 0.42
ALDH1A1 P00352 4/20 0.42
MAPT P10636 2/20 0.42
CYP26A1 O43174 1/20 0.41
KDM4E B2RXH2 2/20 0.41
CNR2 P34972 1/20 0.41
HPGD P15428 1/20 0.41
HSD17B10 Q99714 1/20 0.41
MAPK1 P28482 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40

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
SCHEMBL7820171 0.86 RIPK1 (0.55) RIPK1TSHRCYP1A2CYP3A4CYP2D6
SCHEMBL684799 0.84 RIPK1 (0.54) RIPK1TSHRCYP1A2CYP3A4CYP2D6
SCHEMBL12666549 0.84 RIPK1 (0.60) RIPK1TSHRCYP1A2CYP3A4CYP2D6
SCHEMBL686783 0.83 SMN1; SMN2 (0.54) RIPK1TSHRKMT2AMEN1LMNA
SCHEMBL25587390 0.81 RIPK1 (0.74) RIPK1TSHRCYP1A2CYP3A4CYP2D6
SCHEMBL12666568 0.81 RIPK1 (0.74) RIPK1TSHRCYP1A2CYP3A4CYP2D6
SCHEMBL25587388 0.81 RIPK1 (0.74) RIPK1TSHRCYP1A2CYP3A4CYP2D6
SCHEMBL8915928 0.80 SMN1; SMN2 (0.43) RIPK1TSHRCYP3A4CYP2D6CYP2C9
SCHEMBL8917409 0.80 SMN1; SMN2 (0.43) RIPK1TSHRCYP3A4CYP2D6CYP2C9
SCHEMBL13188052 0.80 SMN1; SMN2 (0.43) RIPK1TSHRCYP3A4CYP2D6CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120129847-A1 COMPOSITIONS AND METHODS FOR TREATING OCULAR EDEMA, NEOVASCULARIZATION AND RELATED DISEASES EyePoint Pharmaceuticals, Inc. 2012-05-24 US disclosed
US-20120128625-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR PREVENTING METASTASIS OF CANCER CELLS EyePoint, Inc. 2012-05-24 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-20120129847-A1 COMPOSITIONS AND METHODS FOR TREATING OCULAR EDEMA, NEOVASCULARIZATION AND RELATED DISEASES FLT4, VEGFA, AQP3 RIPK1 709/4885TSHR 1680/4885CYP1A2 4824/4885
US-20120128625-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR PREVENTING METASTASIS OF CANCER CELLS EPCAM, CD44, CDH1 RIPK1 2721/4885TSHR 4861/4885CYP1A2 3978/4885

“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.