SCHEMBL20970532

SCHEMBL20970532

CC(O)C(=O)N1CCN(S)CC1

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
KMT2A Q03164 1/20 0.35
ROCK2 O75116 1/20 0.33
CYP3A4 P08684 1/20 0.33
PIK3CD O00329 1/20 0.32
TP53 P04637 1/20 0.32
HSD17B10 Q99714 1/20 0.32
POLB P06746 1/20 0.31
MMP1 P03956 1/20 0.31
MMP2 P08253 1/20 0.31
MMP8 P22894 1/20 0.31
NPC1 O15118 1/20 0.31
RORC P51449 2/20 0.31

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
SCHEMBL13324885 0.88 MEN1 (0.41) MEN1ALDH1A1KMT2AROCK2CYP3A4
SCHEMBL22593414 0.84 CHRNB2 (0.42) MEN1ALDH1A1KMT2APOLBNPC1
SCHEMBL17708305 0.79 CYP1A2 (0.52) ALDH1A1TP53HSD17B10NPC1
SCHEMBL17708306 0.79 CYP1A2 (0.52) ALDH1A1TP53HSD17B10NPC1
SCHEMBL7904346 0.79 CYP1A2 (0.52) ALDH1A1TP53HSD17B10NPC1
SCHEMBL3298525 0.78 MMP1 (0.44) MEN1ALDH1A1KMT2ATP53MMP1
SCHEMBL1417346 0.78 MMP1 (0.44) MEN1ALDH1A1KMT2ATP53MMP1
SCHEMBL3288873 0.78 MMP1 (0.44) MEN1ALDH1A1KMT2ATP53MMP1
SCHEMBL22025301 0.77 MEN1 (0.35) MEN1ALDH1A1KMT2AROCK2CYP3A4
SCHEMBL18029824 0.77 GNAI3 (0.39) MEN1ALDH1A1KMT2AROCK2CYP3A4

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-20190127375-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS ARRAY BIOPHARMA INC (US) 2019-05-02 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-20190127375-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS RET, ROR1, BRAF MEN1 1015/4885ALDH1A1 2706/4885KMT2A 1448/4885

“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.