SCHEMBL3489847

SCHEMBL3489847

O=C(N[C@@H]1CCCN(C(=O)O)C1)OCc1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CTSL P07711 1/20 0.62
CTSB P07858 1/20 0.62
CTSK P43235 1/20 0.62
DPP4 P27487 6/20 0.59
DPP7 Q9UHL4 6/20 0.59
KCNH2 Q12809 3/20 0.59
HSD11B1 P28845 1/20 0.59
EPHX1 P07099 1/20 0.58
ALDH1A1 P00352 2/20 0.57
GAA P10253 1/20 0.57
TSHR P16473 1/20 0.55
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
HPN P05981 2/20 0.49
ST14 Q9Y5Y6 2/20 0.49
F13A1 P00488 2/20 0.48
TGM2 P21980 2/20 0.48
TGM1 P22735 2/20 0.48

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
SCHEMBL22829637 0.96 DPP4 (0.61) CTSLCTSBCTSKDPP4DPP7
SCHEMBL3487634 0.96 DPP4 (0.61) CTSLCTSBCTSKDPP4DPP7
SCHEMBL3667335 0.92 CTSL (0.68) CTSLCTSBCTSKDPP4DPP7
SCHEMBL13740409 0.92 CTSL (0.68) CTSLCTSBCTSKDPP4DPP7
SCHEMBL3003867 0.92 CTSL (0.68) CTSLCTSBCTSKDPP4DPP7
SCHEMBL25203367 0.90 HSD11B1 (0.60) CTSLCTSBCTSKDPP4DPP7
SCHEMBL2551898 0.90 DPP4 (0.62) CTSLCTSBCTSKDPP4DPP7
SCHEMBL22469698 0.90 DPP4 (0.54) CTSLCTSBCTSKDPP4DPP7
SCHEMBL18956862 0.89 CTSL (0.58) CTSLCTSBCTSKDPP4DPP7
SCHEMBL22469041 0.88 HSD11B1 (0.62) CTSLCTSBCTSKDPP4DPP7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240140933-A1 OXOINDOLINE COMPOUND FOR THE TREATMENT OF INFLAMMATORY DISEASES OR CANCER HOFFMANN-LA ROCHE INC. (US) 2024-05-02 US disclosed
WO-2023159148-A2 INHIBITORS OF NLRP3 PTC THERAPEUTICS, INC. (US) 2023-08-24 WO disclosed
US-20100056497-A1 AMIDE DERIVATIVE DAINIPPON SUMITOMO PHARMA CO., LTD (JP) 2010-03-04 US disclosed
EP-2119702-A1 AMIDE DERIVATIVE Dainippon Sumitomo Pharma Co., Ltd. (JP) 2009-11-18 EP 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-20240140933-A1 OXOINDOLINE COMPOUND FOR THE TREATMENT OF INFLAMMATORY DISEASES OR CANCER IL1B, IL1A, IL1R1 CTSL 2415/4885CTSB 1522/4885CTSK 2436/4885
US-20100056497-A1 AMIDE DERIVATIVE REN, AGTR1, AGTR2 CTSL 1269/4885CTSB 326/4885CTSK 1472/4885

“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.