SCHEMBL19632888

SCHEMBL19632888

C[C@H]1O[C@@H](c2ccc3c(c2)OCCO3)N2C1C(=O)OC[C@@H]2c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.42
RAB9A P51151 4/20 0.41
NPC1 O15118 4/20 0.41
TERT O14746 2/20 0.41
PTGS2 P35354 1/20 0.39
HDAC4 P56524 1/20 0.38
KMT2A Q03164 1/20 0.38
ALDH1A1 P00352 4/20 0.36
NR3C2 P08235 1/20 0.36
HTT P42858 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
STING1 Q86WV6 2/20 0.36
KDM4E B2RXH2 2/20 0.35
USP2 O75604 1/20 0.35
TP53 P04637 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HSD17B10 Q99714 1/20 0.35
LMNA P02545 1/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35

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
SCHEMBL19997585 0.89 RAB9A (0.43) TSHRRAB9ANPC1TERTPTGS2
SCHEMBL761670 0.89 RAB9A (0.43) TSHRRAB9ANPC1TERTPTGS2
SCHEMBL17558083 0.89 RAB9A (0.43) TSHRRAB9ANPC1TERTPTGS2
SCHEMBL761654 0.89 RAB9A (0.43) TSHRRAB9ANPC1TERTPTGS2
SCHEMBL19997586 0.89 RAB9A (0.43) TSHRRAB9ANPC1TERTPTGS2
SCHEMBL17558067 0.80 TSHR (0.42) TSHRRAB9ANPC1PTGS2ALDH1A1
SCHEMBL1755657 0.80 RAB9A (0.40) TSHRRAB9ANPC1TERTPTGS2
SCHEMBL764381 0.79 RAB9A (0.35) TSHRRAB9ANPC1TERTPTGS2
SCHEMBL17567333 0.77 NPC1 (0.38) TSHRRAB9ANPC1TERTPTGS2
SCHEMBL19795842 0.73 ALDH1A1 (0.34) TSHRRAB9ANPC1KMT2AALDH1A1

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-20170334888-A1 SYNTHESIS OF UDP-GLUCOSE: N-ACYLSPHINGOSINE GLUCOSYLTRANSFERASE INHIBITORS GENZYME CORPORATION 2017-11-23 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-20170334888-A1 SYNTHESIS OF UDP-GLUCOSE: N-ACYLSPHINGOSINE GLUCOSYLTRANSFERASE INHIBITORS UGCG, UGGT1, DPAGT1 TSHR 4491/4885RAB9A 1520/4885NPC1 137/4885

“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.