SCHEMBL24877854

SCHEMBL24877854

COC(=O)c1nn(CC(=O)OC(C)(C)C)c2c1CCC2

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
STAT3 P40763 1/20 0.43
TSHR P16473 5/20 0.42
POLB P06746 2/20 0.42
TP53 P04637 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
PLA2G7 Q13093 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C19 P33261 1/20 0.38
LMNA P02545 4/20 0.38
TRPM2 O94759 1/20 0.38
GAA P10253 2/20 0.37
NPSR1 Q6W5P4 1/20 0.37
MAPT P10636 3/20 0.36
HSD17B10 Q99714 1/20 0.36
ALOX15 P16050 1/20 0.36

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
SCHEMBL21752547 0.88 TRPM2 (0.45) STAT3TSHRPOLBTDP1PLA2G7
SCHEMBL25097669 0.86 LMNA (0.43) STAT3TSHRTP53TDP1PLA2G7
SCHEMBL16006803 0.85 TRPM2 (0.47) STAT3TSHRPOLBTP53TDP1
SCHEMBL24878009 0.83 STAT3 (0.40) STAT3TSHRTDP1PLA2G7LMNA
SCHEMBL24877850 0.83 LMNA (0.51) TSHRPOLBTP53TDP1SMN1; SMN2
SCHEMBL20866257 0.79 STAT3 (0.42) STAT3TSHRPOLBTP53TDP1
SCHEMBL21752599 0.78 STAT3 (0.41) STAT3TSHRTDP1PLA2G7SMN1; SMN2
SCHEMBL31011271 0.78 STAT3 (0.41) STAT3TSHRTDP1PLA2G7SMN1; SMN2
SCHEMBL25097671 0.78 LMNA (0.46) STAT3TSHRPOLBTP53TDP1
SCHEMBL31429509 0.78 TSHR (0.44) TSHRPOLBTP53TDP1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230008022-A1 NOVEL SUBSTITUTED PIPERAZINE AMIDE COMPOUNDS AS INDOLEAMINE 2,3-DIOXYGENASE (IDO) INHIBITORS MERCK SHARP & DOHME CORP. (US) 2023-01-12 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 (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-20230008022-A1 NOVEL SUBSTITUTED PIPERAZINE AMIDE COMPOUNDS AS INDOLEAMINE 2,3-DIOXYGENASE (IDO) INHIBITORS IDO1, IDO2, KYNU STAT3 3316/4885TSHR 3557/4885POLB 2082/4885

“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.