SCHEMBL23558259

SCHEMBL23558259

CC(O)n1nnc2cc(-c3nc(-c4ccccc4O)no3)ccc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 2/20 0.47
SENP8 Q96LD8 2/20 0.47
SENP7 Q9BQF6 2/20 0.47
SENP6 Q9GZR1 2/20 0.47
CHUK O15111 2/20 0.41
TXNRD1 Q16881 2/20 0.41
NOX4 Q9NPH5 2/20 0.41
NPC1 O15118 4/20 0.41
HSD17B10 Q99714 3/20 0.41
HPGD P15428 3/20 0.41
RAB9A P51151 3/20 0.41
MAPT P10636 2/20 0.41
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
TP53 P04637 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
NPSR1 Q6W5P4 2/20 0.41
PKM P14618 1/20 0.41

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
SCHEMBL23524176 0.93 CASP3 (0.48) CASP3SENP8SENP7SENP6CHUK
SCHEMBL29673234 0.84 SMN1; SMN2 (0.51) CASP3SENP8SENP7SENP6CHUK
SCHEMBL25864495 0.83 CASP3 (0.45) CASP3SENP8SENP7SENP6CHUK
SCHEMBL23558447 0.83 HSD17B1 (0.37) NPC1HPGDRAB9AMAPTKDM4E
SCHEMBL23558569 0.83 CASP3 (0.52) CASP3SENP8SENP7SENP6CHUK
SCHEMBL30355704 0.81 SMN1; SMN2 (0.45) NPC1HSD17B10HPGDRAB9AMAPT
SCHEMBL30355631 0.81 NPC1 (0.51) NPC1HSD17B10RAB9AMAPTMEN1
SCHEMBL23524293 0.81 NPC1 (0.51) NPC1HSD17B10RAB9AMAPTMEN1
SCHEMBL23523886 0.81 SMN1; SMN2 (0.45) NPC1HSD17B10HPGDRAB9AMAPT
SCHEMBL25863145 0.81 CASP3 (0.49) CASP3SENP8SENP7SENP6CHUK

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-20210188826-A1 COMPOUNDS FOR MODULATING S1P1 ACTIVITY AND METHODS OF USING THE SAME TREVENA, INC. 2021-06-24 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-20210188826-A1 COMPOUNDS FOR MODULATING S1P1 ACTIVITY AND METHODS OF USING THE SAME S1PR1, S1PR2, S1PR3 CASP3 3079/4885SENP8 3546/4885SENP7 3962/4885

“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.