SCHEMBL10201348

SCHEMBL10201348

C[C@H]1CC(=O)OC1OCc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.41
CYP2C19 P33261 1/20 0.41
CTSL P07711 2/20 0.41
CTSB P07858 2/20 0.41
CTSK P43235 2/20 0.41
CTSV O60911 1/20 0.41
CTSS P25774 1/20 0.41
CTSC P53634 1/20 0.41
CTSF Q9UBX1 1/20 0.41
PSEN1 P49768 4/20 0.40
PSEN2 P49810 4/20 0.40
APH1B Q8WW43 4/20 0.40
NCSTN Q92542 4/20 0.40
APH1A Q96BI3 4/20 0.40
PSENEN Q9NZ42 4/20 0.40
AKT1 P31749 1/20 0.39
GRM2 Q14416 1/20 0.39
CCKBR P32239 1/20 0.39
LMNA P02545 1/20 0.38
CYP1A2 P05177 1/20 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
SCHEMBL10201347 0.85 IDO1 (0.40) MAPTGRM2ALDH1A1
SCHEMBL13139707 0.85 TMEM97 (0.41) MAPTCYP2C19CTSLCTSBCTSK
SCHEMBL12810022 0.81 CTSL (0.41) MAPTCYP2C19CTSLCTSBCTSK
SCHEMBL3469857 0.81 CTSL (0.41) MAPTCYP2C19CTSLCTSBCTSK
SCHEMBL6153660 0.81 CASP1 (0.42) MAPTCYP2C19CTSLCTSBCTSK
SCHEMBL20654338 0.76 AKT1 (0.51) MAPTCYP2C19AKT1LMNACASP1
SCHEMBL12914558 0.74 CASP3 (0.48) CASP1CASP3CASP7CASP6CASP8
SCHEMBL12831196 0.74 SMN1; SMN2 (0.43) CYP1A2
SCHEMBL10201808 0.74 SMN1; SMN2 (0.43) CYP1A2
SCHEMBL16381874 0.74 SMN1; SMN2 (0.43) CYP1A2

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-20120165319-A1 INHIBITORS OF INTERLEUKIN-1 BETA CONVERTING ENZYME VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-06-28 US disclosed
US-8119631-B2 Inhibitors of interleukin-1β converting enzyme VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-02-21 US disclosed
US-20110178069-A1 INHIBITORS OF INTERLEUKIN-1 BETA CONVERTING ENZYME VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-07-21 US disclosed
US-7790713-B2 Inhibitors of interleukin-1β converting enzyme VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-09-07 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-20110178069-A1 INHIBITORS OF INTERLEUKIN-1 BETA CONVERTING ENZYME IL1A, IFNAR1, IL1B MAPT 1662/4885CYP2C19 3087/4885CTSL 100/4885
US-20120165319-A1 INHIBITORS OF INTERLEUKIN-1 BETA CONVERTING ENZYME IL1A, IFNAR1, IL1B MAPT 1662/4885CYP2C19 3087/4885CTSL 100/4885

“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.