SCHEMBL6898524

SCHEMBL6898524

CCOC(=O)NC(Cc1ccccc1)C(=O)OCc1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 3/20 0.62
CTSL P07711 3/20 0.61
CTSB P07858 2/20 0.61
CTSS P25774 2/20 0.61
CTSK P43235 2/20 0.61
POLB P06746 1/20 0.60
ALDH1A1 P00352 1/20 0.60
ALOX15 P16050 1/20 0.60
TYR P14679 1/20 0.58
CTRB1 P17538 2/20 0.55
ACE P12821 1/20 0.54

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
SCHEMBL6440663 0.94 CTSL (0.64) TACR1CTSLCTSBCTSSCTSK
SCHEMBL6440666 0.94 CTSL (0.64) TACR1CTSLCTSBCTSSCTSK
SCHEMBL10964365 0.93 MMP8 (0.56) TACR1CTSLCTSBCTSSCTSK
SCHEMBL15080871 0.91 TACR1 (0.68) TACR1CTSLCTSBCTSSCTSK
SCHEMBL29480462 0.89 CTSL (0.66) TACR1CTSLCTSBCTSSCTSK
SCHEMBL11199738 0.89 CTSL (0.62) TACR1CTSLCTSBCTSSCTSK
SCHEMBL18924800 0.89 CTSK (0.58) TACR1CTSLCTSBCTSSCTSK
SCHEMBL13968379 0.88 ALDH1A1 (0.62) TACR1CTSLCTSBCTSSCTSK
SCHEMBL7460396 0.88 POLB (0.64) POLBALDH1A1ALOX15
Water SCHEMBL27588206 0.87 CTSK (0.53) TACR1CTSLCTSBCTSSCTSK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9670200-B2 Quaternary ammonium salt prodrugs ALKERMES PHARMA IRELAND LIMITED (IE) 2017-06-06 US disclosed
US-9580417-B2 Prodrugs of heteraromatic compounds ALKERMES PHARMA IRELAND LIMITED (IE) 2017-02-28 US disclosed
US-20160009713-A1 Prodrugs of Heteraromatic Compounds JPMORGAN CHASE BANK, N.A. AS ADMINISTRATIVE AGENT 2016-01-14 US disclosed
US-9107911-B2 Prodrugs of heteraromatic compounds ALKERMES PHARMA IRELAND LIMITED (IE) 2015-08-18 US disclosed
US-20110178068-A1 Quaternary Ammonium Salt Prodrugs ALKERMES, INC. (US) 2011-07-21 US disclosed
US-20110166128-A1 Diaryldiazepine Prodrugs for the Treatment of Neurological and Psychological Disorders ALKERMES, INC. (US) 2011-07-07 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 (3 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-20110178068-A1 Quaternary Ammonium Salt Prodrugs SLC1A5, IDH1, ASS1 TACR1 207/4885CTSL 3634/4885CTSB 3633/4885
US-20110166128-A1 Diaryldiazepine Prodrugs for the Treatment of Neurological and Psychological Disorders HTR5A, HTR2C, HTR2B TACR1 1466/4885CTSL 3126/4885CTSB 2720/4885
US-20160009713-A1 Prodrugs of Heteraromatic Compounds CYP2D6, CYP2B6, CYP3A4 TACR1 479/4885CTSL 1016/4885CTSB 1269/4885

“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.