SCHEMBL16617462

SCHEMBL16617462

COOC[C@H](O)COOCc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.46
CA2 P00918 1/20 0.46
CA7 P43166 1/20 0.46
CA9 Q16790 1/20 0.46
KMT2A Q03164 1/20 0.41
HTT P42858 3/20 0.40
NPC1 O15118 1/20 0.39
ALDH1A1 P00352 2/20 0.39
TSHR P16473 2/20 0.39
MAPK1 P28482 2/20 0.38
LMNA P02545 1/20 0.38
HPGD P15428 1/20 0.38
MAPT P10636 2/20 0.38
POLB P06746 1/20 0.38
IDO1 P14902 1/20 0.36

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
SCHEMBL620071 0.91 CA1 (0.53) CA1CA2CA7CA9ALDH1A1
SCHEMBL9694660 0.81 CA1 (0.49) CA1CA2CA7CA9KMT2A
SCHEMBL7783457 0.81 CA1 (0.49) CA1CA2CA7CA9KMT2A
SCHEMBL26656 0.78 TSHR (0.55) CA1CA2CA9ALDH1A1TSHR
Bicarbonate SCHEMBL1988294 0.77 CA1 (0.45) CA1CA2CA7CA9KMT2A
SCHEMBL28106709 0.76 TSHR (0.52) CA1CA2CA9KMT2AALDH1A1
SCHEMBL27982494 0.76 TSHR (0.52) CA1CA2CA9KMT2AALDH1A1
SCHEMBL29291372 0.75 TSHR (0.46) CA1CA2CA7CA9KMT2A
SCHEMBL177923 0.73 TSHR (0.67) CA1CA2CA9KMT2AALDH1A1
SCHEMBL5333780 0.73 CA1 (0.66) CA1CA2CA7CA9KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150099800-A1 NOVEL LIPASE INHIBITORS, REPORTER SUBSTRATES AND USES THEREOF NIH - DEITR 2015-04-09 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 (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-20150099800-A1 NOVEL LIPASE INHIBITORS, REPORTER SUBSTRATES AND USES THEREOF PNLIP, LIPE, LIPC CA1 4330/4885CA2 4374/4885CA7 3959/4885

“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.