SCHEMBL24065124

SCHEMBL24065124

COC(=O)[C@@H]1C[C@@H](OS(=O)(=O)C(F)(F)F)CN1C(=O)OCc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.43
PDK1 Q15118 1/20 0.43
PDK2 Q15119 1/20 0.43
PDK3 Q15120 1/20 0.43
PDK4 Q16654 1/20 0.43
HTT P42858 2/20 0.40
NPSR1 Q6W5P4 1/20 0.40
MITF O75030 1/20 0.40
MAPT P10636 1/20 0.40
FKBP1A P62942 1/20 0.40
PREP P48147 2/20 0.40
MMP1 P03956 1/20 0.40
MMP3 P08254 1/20 0.40
MMP7 P09237 1/20 0.40
MMP9 P14780 1/20 0.40
MMP13 P45452 1/20 0.40
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MMP2 P08253 1/20 0.39

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
SCHEMBL15399060 0.89 MMP2 (0.49) POLBHTTNPSR1MITFMAPT
SCHEMBL7734259 0.89 MMP2 (0.49) POLBHTTNPSR1MITFMAPT
SCHEMBL2317032 0.89 MMP2 (0.49) POLBHTTNPSR1MITFMAPT
SCHEMBL8830987 0.89 MMP2 (0.49) POLBHTTNPSR1MITFMAPT
SCHEMBL31751896 0.86 POLB (0.46) POLBPDK1PDK2PDK3PDK4
SCHEMBL9098331 0.85 POLB (0.49) POLBHTTNPSR1MITFMAPT
SCHEMBL2999647 0.85 POLB (0.49) POLBHTTNPSR1MITFMAPT
SCHEMBL6665516 0.85 POLB (0.49) POLBHTTNPSR1MITFMAPT
SCHEMBL3005973 0.85 POLB (0.49) POLBHTTNPSR1MITFMAPT
SCHEMBL13613076 0.84 POLB (0.48) POLBHTTNPSR1MITFMAPT

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-20210371379-A1 NOVEL SALT OF 4-({(4S)-1-(4-CARBAMIMIDOYLBENZOYL)-4-[4(METHYLSULFONYL)PIPERAZIN-1-YL]-L-PROLYL}AMINO) BENZOIC ACID AND NOVEL CRYSTAL FORM THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2021-12-02 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-20210371379-A1 NOVEL SALT OF 4-({(4S)-1-(4-CARBAMIMIDOYLBENZOYL)-4-[4(METHYLSULFONYL)PIPERAZIN-1-YL]-L-PROLYL}AMINO) BENZOIC ACID AND NOVEL CRYSTAL FORM THEREOF CLIC4, SBDS, SLC7A1 POLB 3302/4885PDK1 2747/4885PDK2 1683/4885

“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.