SCHEMBL20153276

SCHEMBL20153276

COc1ccc(S(=O)(=O)N2CC23CCN(SC)CC3)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.50
PKM P14618 1/20 0.50
PKLR P30613 1/20 0.50
RAB9A P51151 1/20 0.50
HTT P42858 4/20 0.47
FAAH O00519 1/20 0.46
NAAA Q02083 1/20 0.46
ALDH1A1 P00352 4/20 0.45
KDM4E B2RXH2 2/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.44
LMNA P02545 2/20 0.44
TSHR P16473 2/20 0.44
MMP2 P08253 1/20 0.43
HSD11B1 P28845 1/20 0.43
HSD17B10 Q99714 2/20 0.42
MAPT P10636 1/20 0.42
USP2 O75604 1/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42

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
SCHEMBL20153278 0.85 NPC1 (0.54) NPC1PKMPKLRRAB9AHTT
SCHEMBL20148748 0.83 MMP1 (0.53) NPC1PKMPKLRRAB9AHTT
SCHEMBL21159016 0.82 MMP1 (0.54) NPC1PKMPKLRRAB9AHTT
SCHEMBL12455819 0.75 NPC1 (0.63) NPC1PKMPKLRRAB9AHTT
SCHEMBL20154516 0.69 KMT2A (0.50) PKMHTTALDH1A1TSHRMMP2
SCHEMBL20148747 0.69 GAA (0.60) NPC1PKMRAB9AHTTALDH1A1
SCHEMBL8206367 0.68 HSD11B1 (0.57) NPC1PKMPKLRRAB9AHTT
SCHEMBL15694944 0.68 HTT (0.54) NPC1PKMPKLRRAB9AHTT
SCHEMBL31315853 0.68 PKM (1.00) NPC1PKMPKLRRAB9AHTT
SCHEMBL1722721 0.68 PKM (1.00) NPC1PKMPKLRRAB9AHTT

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-20180133200-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS ARRAY BIOPHARMA INC. 2018-05-17 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-20180133200-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS RET, ROR1, BRAF NPC1 4035/4885PKM 1138/4885PKLR 1304/4885

“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.