SCHEMBL8348598

SCHEMBL8348598

CCC(NC(=O)OCc1ccccc1)C(C)=O

nearest known ligand 0.63

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CTSK P43235 6/20 0.63
ALDH1A1 P00352 1/20 0.62
ALOX15 P16050 1/20 0.62
CTSS P25774 4/20 0.56
CTSL P07711 3/20 0.56
CTSB P07858 2/20 0.56
TACR1 P25103 2/20 0.54
KYNU Q16719 1/20 0.54
SYK P43405 1/20 0.54
MEN1 O00255 1/20 0.54
LMNA P02545 1/20 0.54
KMT2A Q03164 1/20 0.54
CTRB1 P17538 2/20 0.54
ATM Q13315 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
SCHEMBL12809176 1.00 CTSK (0.63) CTSKALDH1A1ALOX15CTSSCTSL
SCHEMBL2627396 0.90 CTSK (0.62) CTSKALDH1A1ALOX15CTSSCTSL
SCHEMBL29941638 0.90 CTSK (0.62) CTSKALDH1A1ALOX15CTSSCTSL
SCHEMBL10254381 0.90 CTSK (0.62) CTSKALDH1A1ALOX15CTSSCTSL
SCHEMBL10028352 0.89 ALDH1A1 (0.64) CTSKALDH1A1ALOX15CTSSCTSL
SCHEMBL26195471 0.89 CTSK (0.64) CTSKALDH1A1ALOX15CTSSCTSL
SCHEMBL13503284 0.89 ALDH1A1 (0.64) CTSKALDH1A1ALOX15CTSSCTSL
SCHEMBL2895983 0.89 CTSK (0.64) CTSKALDH1A1ALOX15CTSSCTSL
SCHEMBL265512 0.89 CTSK (0.64) CTSKALDH1A1ALOX15CTSSCTSL
SCHEMBL319160 0.89 CTSK (0.64) CTSKALDH1A1ALOX15CTSSCTSL

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-9968587-B2 Heterocycle analogs of CAI-1 as agonists of quorum sensing in vibrio THE TRUSTEES OF PRINCETON UNIVERSITY (US) 2018-05-15 US disclosed
US-20180078526-A1 HETEROCYCLE ANALOGS OF CAI-1 AS AGONISTS OF QUORUM SENSING IN VIBRIO THE TRUSTEES OF PRINCETON UNIVERSITY (US) 2018-03-22 US disclosed
WO-2004007501-A1 BIOLOGICALLY ACTIVE COMPOUNDS AMURA THERAPEUTICS LIMITED (GB) 2004-01-22 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-20180078526-A1 HETEROCYCLE ANALOGS OF CAI-1 AS AGONISTS OF QUORUM SENSING IN VIBRIO CACNG1, VIPR1, CAP1 CTSK 1598/4885ALDH1A1 2444/4885ALOX15 868/4885

“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.