SCHEMBL21775689

SCHEMBL21775689

CCC(=O)OC(C)Oc1cc(C)nn1-c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.45
KMT2A Q03164 1/20 0.45
NTRK1 P04629 1/20 0.44
ALDH1A1 P00352 3/20 0.44
LMNA P02545 1/20 0.43
STAT1 P42224 1/20 0.43
MAPT P10636 3/20 0.42
L3MBTL1 Q9Y468 3/20 0.42
TSHR P16473 2/20 0.42
ATM Q13315 1/20 0.42
P2RY1 P47900 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
TP53 P04637 1/20 0.41
KCNJ6 P48051 1/20 0.41
KCNJ5 P48544 1/20 0.41
KCNJ3 P48549 1/20 0.41

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
SCHEMBL21775729 0.88 TSHR (0.48) GAAKMT2ANTRK1ALDH1A1LMNA
SCHEMBL25763260 0.87 SOAT2 (0.43) GAAKMT2ANTRK1ALDH1A1LMNA
SCHEMBL21774371 0.87 SOAT2 (0.43) GAAKMT2ANTRK1ALDH1A1LMNA
SCHEMBL21775684 0.86 NTRK1 (0.47) GAAKMT2ANTRK1ALDH1A1MAPT
SCHEMBL20320310 0.86 KMT2A (0.54) GAAKMT2ANTRK1ALDH1A1LMNA
SCHEMBL21774341 0.85 NTRK1 (0.46) GAAKMT2ANTRK1ALDH1A1LMNA
SCHEMBL21774370 0.84 FAAH (0.43) GAAKMT2ANTRK1ALDH1A1MAPT
SCHEMBL21775688 0.84 NTRK1 (0.45) GAAKMT2ANTRK1ALDH1A1MAPT
SCHEMBL21775728 0.84 ALDH1A1 (0.53) GAAKMT2ANTRK1ALDH1A1LMNA
SCHEMBL21775697 0.83 NTRK1 (0.42) GAAKMT2ANTRK1ALDH1A1MAPT

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 GAA 3422/4885KMT2A 4665/4885NTRK1 2744/4885

“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.