SCHEMBL21775729

SCHEMBL21775729

Cc1cc(OC(C)OC(=O)Cc2ccccc2)n(-c2ccccc2)n1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.48
KLK6 Q92876 1/20 0.46
MAPT P10636 4/20 0.43
L3MBTL1 Q9Y468 3/20 0.43
TDP1 Q9NUW8 1/20 0.43
ALDH1A1 P00352 3/20 0.42
NTRK1 P04629 1/20 0.42
KDM5A P29375 1/20 0.41
KDM4C Q9H3R0 1/20 0.41
GAA P10253 2/20 0.41
ATM Q13315 1/20 0.41
KMT2A Q03164 1/20 0.41
P2RY1 P47900 1/20 0.40
LMNA P02545 1/20 0.39
STAT1 P42224 1/20 0.39
KCNJ6 P48051 1/20 0.39
KCNJ5 P48544 1/20 0.39
KCNJ3 P48549 1/20 0.39

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
SCHEMBL21775689 0.88 GAA (0.45) TSHRMAPTL3MBTL1ALDH1A1NTRK1
SCHEMBL21774370 0.87 FAAH (0.43) MAPTL3MBTL1TDP1ALDH1A1NTRK1
SCHEMBL21775684 0.84 NTRK1 (0.47) TSHRMAPTL3MBTL1TDP1ALDH1A1
SCHEMBL21774341 0.83 NTRK1 (0.46) TSHRMAPTL3MBTL1TDP1ALDH1A1
SCHEMBL21774371 0.82 SOAT2 (0.43) TSHRMAPTL3MBTL1ALDH1A1NTRK1
SCHEMBL21775688 0.82 NTRK1 (0.45) TSHRMAPTL3MBTL1ALDH1A1NTRK1
SCHEMBL21775728 0.82 ALDH1A1 (0.53) TSHRMAPTL3MBTL1TDP1ALDH1A1
SCHEMBL21774377 0.81 KLK6 (0.55) KLK6MAPTL3MBTL1TDP1ALDH1A1
SCHEMBL21775697 0.79 NTRK1 (0.42) TSHRMAPTL3MBTL1ALDH1A1NTRK1
SCHEMBL21775698 0.77 ALDH1A1 (0.41) TSHRMAPTL3MBTL1ALDH1A1NTRK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11692004-B2 Substituted pyrazole compound, preparation method therefor, pharmaceutical composition and medical use thereof JIANGSU VANGUARD PHARMACEUTICAL CO., LTD. (CN) 2023-07-04 US disclosed
US-11692004-B2 Substituted pyrazole compound, preparation method therefor, pharmaceutical composition and medical use thereof JIANGSU VANGUARD PHARMACEUTICAL CO., LTD. (CN) 2023-07-04 US disclosed
WO-2020038279-A1 SUBSTITUTED PYRAZOLE COMPOUND, AND PREPARATION METHOD, PHARMACEUTICAL COMPOSITION, AND USE THEREOF 天津谷堆生物医药科技有限公司 2020-02-27 WO 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-11692004-B2 Substituted pyrazole compound, preparation method therefor, pharmaceutical composition and medical use thereof FARS2, GOT2, HADHB TSHR 4169/4885KLK6 3913/4885MAPT 856/4885

“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.