SCHEMBL30006971

SCHEMBL30006971

COC(=O)[C@@](O)(C(=O)c1ccccc1)[C@@](O)(C(=O)c1ccccc1)[C@](O)(CO)C(=O)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SRC P12931 1/20 0.54
▸ CES1 P23141 3/20 0.40
▸ KCNN4 O15554 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ ELANE P08246 1/20 0.37
▸ NPC1 O15118 2/20 0.36
▸ MAPK1 P28482 2/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ CTRB1 P17538 2/20 0.35
▸ PRSS1 P07477 1/20 0.35
▸ CTSG P08311 1/20 0.35
▸ CMA1 P23946 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ KMT2A Q03164 3/20 0.35
▸ MEN1 O00255 2/20 0.34
▸ MAPT P10636 2/20 0.33
▸ ADRB2 P07550 1/20 0.33
▸ ADRB1 P08588 1/20 0.33
▸ ADRB3 P13945 1/20 0.33

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
SCHEMBL21753643 1.00 SRC (0.54) SRCCES1KCNN4TSHRELANE
SCHEMBL27722489 0.81 SRC (0.72) SRCCES1KCNN4TSHRELANE
SCHEMBL1843233 0.81 CES1 (0.38) SRCCES1TSHRNPC1MAPK1
SCHEMBL27700743 0.81 CES1 (0.38) SRCCES1TSHRMAPK1KMT2A
SCHEMBL1845079 0.81 CES1 (0.38) SRCCES1TSHRNPC1MAPK1
SCHEMBL3670563 0.78 SRC (0.68) SRCCES1KCNN4TSHRELANE
SCHEMBL8071585 0.78 CES1 (0.47) SRCCES1TSHRMAPK1POLB
SCHEMBL29634553 0.72 CES1 (0.38) SRCCES1TSHRMAPK1POLB
SCHEMBL1846320 0.72 CES1 (0.38) SRCCES1TSHRMAPK1POLB
SCHEMBL1846060 0.72 CES1 (0.38) SRCCES1TSHRMAPK1POLB

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 2 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-20220372058-A1 Substituted Pyrazole Compound, Preparation Method Therefor, Pharmaceutical Composition and Medical Use Thereof JIANGSU VANGUARD PHARMACEUTICAL CO., LTD (CN) 2022-11-24 — — 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 (2 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-20220372058-A1 Substituted Pyrazole Compound, Preparation Method Therefor, Pharmaceutical Composition and Medical Use Thereof FARS2, GOT2, HADHB SRC 3419/4885CES1 1638/4885KCNN4 3307/4885
US-11692004-B2 Substituted pyrazole compound, preparation method therefor, pharmaceutical composition and medical use thereof FARS2, GOT2, HADHB SRC 3419/4885CES1 1638/4885KCNN4 3307/4885

“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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