SCHEMBL17033159

SCHEMBL17033159

CCCCC(=O)NC1(C)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.47
SPHK1 Q9NYA1 2/20 0.46
ALDH1A1 P00352 4/20 0.43
TP53 P04637 1/20 0.43
HSP90AA1 P07900 1/20 0.42
CES2 O00748 1/20 0.41
CES1 P23141 1/20 0.41
FAAH O00519 5/20 0.41
MAPT P10636 3/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
NPSR1 Q6W5P4 1/20 0.39
KDM4E B2RXH2 1/20 0.39
PKM P14618 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HPGD P15428 1/20 0.39
MAPK1 P28482 1/20 0.38
TRPV1 Q8NER1 4/20 0.38
CNR1 P21554 2/20 0.38
CNR2 P34972 2/20 0.38

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
SCHEMBL13146756 0.92 EPHX2 (0.45) EPHX2SPHK1ALDH1A1TP53HSP90AA1
SCHEMBL17033150 0.87 HDAC3 (0.46) EPHX2SPHK1ALDH1A1TP53CES2
SCHEMBL828036 0.78
SCHEMBL24974708 0.78 LMNA (0.49) EPHX2SPHK1ALDH1A1TP53MAPT
SCHEMBL8689464 0.78 LMNA (0.49) EPHX2SPHK1ALDH1A1TP53MAPT
SCHEMBL12040312 0.77 PHF8 (0.50) EPHX2ALDH1A1KDM4E
SCHEMBL29242051 0.76 EPHX2 (0.45) EPHX2SPHK1ALDH1A1TP53HSP90AA1
SCHEMBL7591662 0.75 SPHK1 (0.46) EPHX2SPHK1ALDH1A1HSP90AA1CES2
SCHEMBL17031726 0.75 EPHX2 (0.44) EPHX2SPHK1ALDH1A1HSP90AA1CES2
SCHEMBL3001083 0.75 EPHX2 (0.37) EPHX2SPHK1ALDH1A1FAAHPKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9758537-B2 Compounds for treatment of complement mediated disorders ACHILLION PHARMACEUTICALS (US) 2017-09-12 US disclosed
US-20160361329-A1 COMPOUNDS FOR TREATMENT OF COMPLEMENT MEDIATED DISORDERS ACHILLION PHARMACEUTICALS, INC. (US) 2016-12-15 US disclosed
US-20150239838-A1 Compounds for Treatment of Complement Mediated Disorders ACHILLION PHARMACEUTICALS, INC. (US) 2015-08-27 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-20150239838-A1 Compounds for Treatment of Complement Mediated Disorders CFD, TFPI, CFH EPHX2 3857/4885SPHK1 531/4885ALDH1A1 2261/4885
US-20160361329-A1 COMPOUNDS FOR TREATMENT OF COMPLEMENT MEDIATED DISORDERS CFD, CFH, TFPI EPHX2 1569/4885SPHK1 800/4885ALDH1A1 3412/4885

“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.