SCHEMBL20353673

SCHEMBL20353673

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

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MMP1 P03956 1/20 0.38
▸ MMP2 P08253 1/20 0.38
▸ MMP8 P22894 1/20 0.38
▸ CHRM1 P11229 2/20 0.36
▸ RNPEP Q9H4A4 1/20 0.34
▸ PIK3CD O00329 1/20 0.33
▸ RBP4 P02753 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ MME P08473 1/20 0.31
▸ RET P07949 2/20 0.31
▸ TSHR P16473 1/20 0.31
▸ POLB P06746 1/20 0.30
▸ NPSR1 Q6W5P4 1/20 0.30
▸ L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL18389808 0.86 CHRM1 (0.48) MMP1MMP2MMP8CHRM1PIK3CD
SCHEMBL18713203 0.80 HSD17B10 (0.45) MMP1MMP2MMP8CHRM1ALDH1A1
SCHEMBL20154460 0.77 ROCK2 (0.38) MMP1MMP2MMP8CHRM1ALDH1A1
SCHEMBL18704895 0.76 MMP1 (0.38) MMP1MMP2MMP8CHRM1PIK3CD
SCHEMBL1622973 0.75 MMP1 (0.40) MMP1MMP2MMP8POLB
SCHEMBL1622976 0.75 MMP1 (0.40) MMP1MMP2MMP8POLB
SCHEMBL20154581 0.73 POLB (0.56) ALDH1A1POLBNPSR1L3MBTL1
SCHEMBL22875187 0.72 MEN1 (0.40) MMP1MMP2MMP8ALDH1A1POLB
SCHEMBL22875185 0.72 MEN1 (0.40) MMP1MMP2MMP8ALDH1A1POLB
SCHEMBL22874728 0.72 MEN1 (0.40) MMP1MMP2MMP8ALDH1A1POLB

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-20180186791-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS ARRAY BIOPHARMA INC. 2018-07-05 — — 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-20180186791-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS RET, ROR1, BRAF MMP1 4508/4885MMP2 4141/4885MMP8 4396/4885

“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.

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