SCHEMBL21851962

SCHEMBL21851962

CC(C)C(CC(=O)O)c1ccc(Cl)cc1Cl

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.47
▸ TP53 P04637 1/20 0.47
▸ HTT P42858 1/20 0.47
▸ FFAR1 O14842 1/20 0.47
▸ EEF2K O00418 3/20 0.46
▸ MEN1 O00255 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ CYP2D6 P10635 1/20 0.43
▸ CYP2C9 P11712 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ KMO O15229 1/20 0.42
▸ TDP1 Q9NUW8 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
SCHEMBL17755077 0.83 FFAR1 (0.56) LMNATP53HTTFFAR1EEF2K
SCHEMBL22993739 0.80 CTSA (0.45) MEN1KMT2A
SCHEMBL19420118 0.80 EEF2K (0.48) FFAR1EEF2KMEN1KMT2ACYP2D6
SCHEMBL19420103 0.80 EEF2K (0.48) FFAR1EEF2KMEN1KMT2ACYP2D6
SCHEMBL10832271 0.80 LMNA (0.53) LMNATP53HTTMEN1KMT2A
SCHEMBL8667654 0.78 EEF2K (0.49) LMNATP53HTTFFAR1EEF2K
SCHEMBL18925051 0.78 TP53 (0.55) LMNATP53HTTMEN1KMT2A
SCHEMBL3865104 0.77 EEF2K (0.46) FFAR1EEF2KTDP1
SCHEMBL5721001 0.77 LMNA (0.50) LMNATP53HTTEEF2KMEN1
SCHEMBL5721003 0.77 LMNA (0.50) LMNATP53HTTEEF2KMEN1

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-11324731-B2 TXNIP-TRX complex inhibitors and methods of using the same CITY OF HOPE (US) 2022-05-10 — — US disclosed
US-20200085800-A1 TXNIP-TRX COMPLEX INHIBITORS AND METHODS OF USING THE SAME CITY OF HOPE 2020-03-19 — — 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-11324731-B2 TXNIP-TRX complex inhibitors and methods of using the same TXN, TXN2, TXNRD3 LMNA 3153/4885TP53 3260/4885HTT 670/4885
US-20200085800-A1 TXNIP-TRX COMPLEX INHIBITORS AND METHODS OF USING THE SAME TXN, TXN2, TXNRD3 LMNA 3153/4885TP53 3260/4885HTT 670/4885

“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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