SCHEMBL21851973

SCHEMBL21851973

COc1cc(NC(=O)C(C(C)C)N2C(=O)c3ccccc3C2=O)c(OC)cc1Cl

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.57
POLB P06746 1/20 0.56
GAA P10253 3/20 0.52
ALDH1A1 P00352 3/20 0.51
PLAU P00749 1/20 0.51
ELANE P08246 1/20 0.51
SMN1; SMN2 Q16637 2/20 0.50
TSHR P16473 2/20 0.49
KMT2A Q03164 3/20 0.49
MEN1 O00255 2/20 0.49
KDM4E B2RXH2 3/20 0.47
MAPT P10636 2/20 0.47
NPC1 O15118 1/20 0.47
MAPK1 P28482 1/20 0.47
NOD2 Q9HC29 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
LMNA P02545 1/20 0.47
SHMT2 P34897 1/20 0.47
HPGD P15428 1/20 0.47

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
SCHEMBL21851950 0.76 SMN1; SMN2 (0.58) TP53GAAALDH1A1SMN1; SMN2TSHR
SCHEMBL20589055 0.75 SMN1; SMN2 (0.53) TP53POLBGAAALDH1A1PLAU
SCHEMBL20589053 0.75 SMN1; SMN2 (0.53) TP53POLBGAAALDH1A1PLAU
SCHEMBL21851980 0.73 TP53 (0.72) TP53POLBGAAALDH1A1PLAU
SCHEMBL8930615 0.72 SMN1; SMN2 (0.57) TP53GAAALDH1A1SMN1; SMN2TSHR
SCHEMBL3455676 0.71 TP53 (0.62) TP53POLBGAAALDH1A1PLAU
SCHEMBL26816572 0.70 ALDH1A1 (0.61) POLBALDH1A1SMN1; SMN2KMT2AMEN1
SCHEMBL11318642 0.70 POLB (0.47) TP53POLBGAAALDH1A1SMN1; SMN2
SCHEMBL10427038 0.70 MAPT (0.59) TP53POLBALDH1A1SMN1; SMN2TSHR
SCHEMBL10427037 0.70 MAPT (0.59) TP53POLBALDH1A1SMN1; SMN2TSHR

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 TP53 3260/4885POLB 2459/4885GAA 4097/4885
US-20200085800-A1 TXNIP-TRX COMPLEX INHIBITORS AND METHODS OF USING THE SAME TXN, TXN2, TXNRD3 TP53 3260/4885POLB 2459/4885GAA 4097/4885

“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.