SCHEMBL17693623

SCHEMBL17693623

COC(=O)[C@H](Cc1ccc(OP(=O)(O)O)c(O)c1)NC(=O)OCc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ KYNU Q16719 1/20 0.53
▸ ALDH1A1 P00352 3/20 0.51
▸ ALOX15 P16050 1/20 0.51
▸ F2 P00734 1/20 0.49
▸ CTSL P07711 3/20 0.48
▸ CTSB P07858 3/20 0.48
▸ CTSS P25774 3/20 0.48
▸ TYR P14679 1/20 0.48
▸ TACR1 P25103 2/20 0.47
▸ CYP3A4 P08684 3/20 0.47
▸ TSHR P16473 3/20 0.47
▸ MEN1 O00255 2/20 0.47
▸ KMT2A Q03164 2/20 0.47
▸ MAPT P10636 1/20 0.47
▸ CTSK P43235 2/20 0.47
▸ MDM4 O15151 1/20 0.45
▸ MDM2 Q00987 1/20 0.45

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
SCHEMBL3642865 0.87 ALDH1A1 (0.55) KYNUALDH1A1ALOX15CTSLCTSB
SCHEMBL3642862 0.87 ALDH1A1 (0.55) KYNUALDH1A1ALOX15CTSLCTSB
SCHEMBL9777172 0.85 CAPN1 (0.52) CTSLCTSBCTSSCTSK
SCHEMBL2947377 0.85 LCK (0.61) KYNUALDH1A1ALOX15CTSLCTSB
Ammonia Solution, Strong SCHEMBL7302333 0.84 MME (0.43) F2CTSLCTSBCTSSTYR
Ammonia Solution, Strong SCHEMBL7425286 0.84 CAPN1 (0.51) CTSLCTSBCTSSCTSK
Ammonia Solution, Strong SCHEMBL7300872 0.83 HSD17B10 (0.44) F2CTSLCTSBCTSSTYR
SCHEMBL3603422 0.82 ALDH1A1 (0.58) KYNUALDH1A1ALOX15CTSLCTSB
SCHEMBL3592698 0.82 ALDH1A1 (0.58) KYNUALDH1A1ALOX15CTSLCTSB
Hydrochloric Acid SCHEMBL3592702 0.81 ALDH1A1 (0.57) KYNUALDH1A1ALOX15CTSLCTSB

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-9446059-B2 Carbidopa and L-dopa prodrugs and methods of use ABBVIE INC. (US) 2016-09-20 — — US disclosed
US-9446059-B2 Carbidopa and L-dopa prodrugs and methods of use ABBVIE INC. (US) 2016-09-20 — — US disclosed
US-20160106765-A1 Carbidopa and L-Dopa Prodrugs and Methods of Use ABBVIE INC. 2016-04-21 — — US disclosed
US-20160106765-A1 Carbidopa and L-Dopa Prodrugs and Methods of Use ABBVIE INC. 2016-04-21 — — 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-20160106765-A1 Carbidopa and L-Dopa Prodrugs and Methods of Use COMT, SNCA, PARK7 KYNU 126/4885ALDH1A1 694/4885ALOX15 488/4885

“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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