SCHEMBL9941584

SCHEMBL9941584

C=C(N)Cc1ccccc1B(O)O

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LIPG Q9Y5X9 1/20 0.47
ENPP2 Q13822 2/20 0.36
LIPE Q05469 5/20 0.34
PKM P14618 1/20 0.33
LMNA P02545 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
ORAI1 Q96D31 1/20 0.31
ORAI2 Q96SN7 1/20 0.31
ORAI3 Q9BRQ5 1/20 0.31
CA4 P22748 1/20 0.30
CA6 P23280 1/20 0.30
CA5A P35218 1/20 0.30
CA7 P43166 1/20 0.30
CA14 Q9ULX7 1/20 0.30
CA5B Q9Y2D0 1/20 0.30

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
SCHEMBL6525138 0.80 PKM (0.41) PKMLMNASMN1; SMN2
SCHEMBL2553226 0.80 LIPG (0.47) LIPGENPP2LIPE
SCHEMBL30858778 0.80 LIPG (0.47) LIPGENPP2LIPE
SCHEMBL30858783 0.80 LIPG (0.47) LIPGENPP2LIPE
SCHEMBL9941638 0.76 LIPG (0.43) LIPGENPP2LIPE
SCHEMBL26429489 0.75 TAAR1 (0.48)
SCHEMBL22296120 0.75 GABRA1 (0.43) PKMLMNASMN1; SMN2
SCHEMBL1439462 0.74 LIPG (0.53) LIPGENPP2LIPEORAI1ORAI2
SCHEMBL29428911 0.74 LIPG (0.53) LIPGENPP2LIPEORAI1ORAI2
SCHEMBL4957021 0.74 LIPG (0.53) LIPGENPP2LIPEORAI1ORAI2

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
EP-2651917-A1 DIMERIC IAP INHIBITORS Novartis AG (CH) 2013-10-23 EP disclosed
US-20130266590-A1 DIMERIC IAP INHIBITORS NOVARTIS AG (CH) 2013-10-10 US disclosed
WO-2012080260-A1 DIMERIC IAP INHIBITORS NOVARTIS AG (CH) 2012-06-21 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-20130266590-A1 DIMERIC IAP INHIBITORS XIAP, BIRC5, BIRC2 LIPG 3163/4885ENPP2 1543/4885LIPE 3679/4885

“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.