SCHEMBL12401977

SCHEMBL12401977

COC[C@H](C(=O)OC)C1CCCCC1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 3/20 0.44
TP53 P04637 1/20 0.43
EPHX2 P34913 2/20 0.41
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
SLC6A3 Q01959 2/20 0.40
THRB P10828 1/20 0.40
CA12 O43570 2/20 0.39
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
MMP2 P08253 2/20 0.39
CA9 Q16790 2/20 0.39
EPHX1 P07099 1/20 0.38
TSHR P16473 1/20 0.37

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
SCHEMBL819467 1.00 NPSR1 (0.44) NPSR1TP53EPHX2KMT2AMEN1
SCHEMBL820265 0.98 NPSR1 (0.42) NPSR1TP53EPHX2KMT2AMEN1
SCHEMBL819199 0.86 ALDH1A1 (0.44) NPSR1EPHX2ALDH1A1THRBTSHR
SCHEMBL819688 0.84 ALDH1A1 (0.40) NPSR1TP53KMT2AMEN1ALDH1A1
SCHEMBL888576 0.84 CYP2D6 (0.43) NPSR1ALDH1A1SLC6A3THRBTSHR
SCHEMBL9588848 0.83 TP53 (0.44) NPSR1TP53EPHX2KMT2AMEN1
SCHEMBL13545056 0.83 TP53 (0.44) NPSR1TP53KMT2AMEN1ALDH1A1
SCHEMBL12208613 0.83 TP53 (0.44) NPSR1TP53EPHX2KMT2AMEN1
SCHEMBL888479 0.82 ALDH1A1 (0.38) NPSR1TP53KMT2AMEN1ALDH1A1
SCHEMBL12401981 0.81 TP53 (0.43) NPSR1TP53EPHX2KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8440706-B2 Inhibitors of serine proteases VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-05-14 US disclosed
US-20110182856-A1 INHIBITORS OF SERINE PROTEASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-07-28 US disclosed
US-20110165120-A1 INHIBITORS OF SERINE PROTEASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-07-07 US disclosed
US-7964624-B1 Inhibitors of serine proteases VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-06-21 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-20110165120-A1 INHIBITORS OF SERINE PROTEASES PRSS1, PRSS3, PRSS2 NPSR1 1382/4885TP53 396/4885EPHX2 3504/4885
US-20110182856-A1 INHIBITORS OF SERINE PROTEASES PRSS1, SPINT2, PRSS2 NPSR1 1695/4885TP53 435/4885EPHX2 3577/4885

“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.