SCHEMBL21800682

SCHEMBL21800682

CCOC(=O)C1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1

nearest known ligand 0.69

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.69
SMN1; SMN2 Q16637 3/20 0.67
NPC1 O15118 2/20 0.67
RAB9A P51151 2/20 0.67
KMT2A Q03164 3/20 0.65
MEN1 O00255 2/20 0.65
ALDH1A1 P00352 2/20 0.62
RECQL P46063 1/20 0.62
PKM P14618 2/20 0.62
NPSR1 Q6W5P4 1/20 0.62
USP2 O75604 1/20 0.61
L3MBTL1 Q9Y468 2/20 0.61
LMNA P02545 1/20 0.53
HTT P42858 2/20 0.52
YAP1 P46937 1/20 0.52
TEAD4 Q15561 1/20 0.52

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
SCHEMBL4815957 0.82 USP2 (0.78) GAASMN1; SMN2KMT2AMEN1ALDH1A1
SCHEMBL7356750 0.82 USP2 (0.78) GAASMN1; SMN2KMT2AMEN1ALDH1A1
SCHEMBL4892974 0.80 USP2 (0.62) GAASMN1; SMN2KMT2AMEN1ALDH1A1
SCHEMBL3339720 0.79 KMT2A (1.00) RAB9AKMT2AMEN1ALDH1A1PKM
SCHEMBL7304896 0.78 KDM4E (0.70) SMN1; SMN2NPC1RAB9AKMT2AMEN1
SCHEMBL7304903 0.78 KDM4E (0.70) SMN1; SMN2NPC1RAB9AKMT2AMEN1
SCHEMBL5949555 0.76 TSHR (0.61) GAASMN1; SMN2KMT2AMEN1ALDH1A1
SCHEMBL5949547 0.76 TSHR (0.61) GAASMN1; SMN2KMT2AMEN1ALDH1A1
SCHEMBL21800594 0.74 SMN1; SMN2 (0.54) GAASMN1; SMN2NPC1RAB9AKMT2A
SCHEMBL21800651 0.73 ALDH1A1 (0.71) NPC1RAB9AKMT2AALDH1A1PKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200087258-A1 INHIBITOR OF CITRATE TRANSPORTER AND THEIR USE IN THERAPY ETERNYGEN GMBH (DE) 2020-03-19 US disclosed
US-20200087258-A1 INHIBITOR OF CITRATE TRANSPORTER AND THEIR USE IN THERAPY ETERNYGEN GMBH (DE) 2020-03-19 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-20200087258-A1 INHIBITOR OF CITRATE TRANSPORTER AND THEIR USE IN THERAPY CS, SLC2A1, SLC2A2 GAA 108/4885SMN1; SMN2 2915/4885NPC1 275/4885

“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.