SCHEMBL17070598

SCHEMBL17070598

CCOC(=O)NC(CC(C)(C)C)C(=O)OC

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CTSS P25774 2/20 0.40
▸ CTSL P07711 1/20 0.40
▸ CTSB P07858 1/20 0.40
▸ HTT P42858 2/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ SMN1; SMN2 Q16637 3/20 0.38
▸ LMNA P02545 1/20 0.38
▸ MMP8 P22894 1/20 0.37
▸ ATM Q13315 1/20 0.36
▸ MAPK1 P28482 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ MGAM O43451 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ SI P14410 1/20 0.34
▸ MGAM2 Q2M2H8 1/20 0.34
▸ CA1 P00915 1/20 0.34
▸ CA2 P00918 1/20 0.34

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
SCHEMBL3049273 0.82 CTSK (0.47) CTSSCTSLCTSBHTTCYP1A2
SCHEMBL2367410 0.82 CTSK (0.47) CTSSCTSLCTSBHTTCYP1A2
SCHEMBL17072528 0.81 L3MBTL1 (0.41) CTSSHTTCYP1A2CYP2C9CYP2C19
SCHEMBL23730611 0.79 SMN1; SMN2 (0.39) CTSSCTSLCTSBSMN1; SMN2ALDH1A1
SCHEMBL17072787 0.78 MGAM (0.37) HTTCYP1A2CYP2C9CYP2C19SMN1; SMN2
SCHEMBL4097410 0.77 CTSS (0.46) CTSSCTSLCTSBHTTCYP1A2
SCHEMBL3044553 0.76 CTSS (0.70) CTSSCTSLCTSBALDH1A1CTSK
SCHEMBL16406515 0.75 CA2 (0.34) CTSSCTSLCTSBSMN1; SMN2MMP8
SCHEMBL20739435 0.75 CA1 (0.35) CTSSCTSLCTSBSMN1; SMN2MMP8
SCHEMBL30140832 0.74 TGFBR1 (0.36) CTSSCTSLCTSBALDH1A1CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9957231-B2 Iodine(II)-mediated radiofluorination THE GENERAL HOSPITAL CORPORATION (US) 2018-05-01 — — US disclosed
US-9957231-B2 Iodine(II)-mediated radiofluorination THE GENERAL HOSPITAL CORPORATION (US) 2018-05-01 — — US disclosed
US-20160362375-A1 Iodine(III)-Mediated Radiofluorination THE GENERAL HOSPITAL CORPORATION 2016-12-15 — — US disclosed
US-9434699-B2 Iodine(III)-mediated radiofluorination THE GENERAL HOSPITAL CORPORATION (US) 2016-09-06 — — US disclosed
US-20150252007-A1 IODINE(III)-MEDIATED RADIOFLUORINATION THE GENERAL HOSPITAL CORPORATION 2015-09-10 — — 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-20150252007-A1 IODINE(III)-MEDIATED RADIOFLUORINATION TPO, FLI1, SSTR3 CTSS 2437/4885CTSL 3702/4885CTSB 1880/4885
US-20160362375-A1 Iodine(III)-Mediated Radiofluorination TPO, FLI1, SSTR3 CTSS 2437/4885CTSL 3702/4885CTSB 1880/4885

“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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