Sugi Predict

Sugi Predict / Compounds / SCHEMBL3864222

SCHEMBL3864222

SCHEMBL3864222

O=C(N[C@@H](Cc1ccccc1)[PH](=O)O)OCc1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CTRB1 P17538 2/20 0.59
▸ TACR1 P25103 3/20 0.53
▸ CTSL P07711 2/20 0.52
▸ CTSB P07858 2/20 0.52
▸ CTSS P25774 2/20 0.52
▸ CTSK P43235 2/20 0.52
▸ TRPM8 Q7Z2W7 1/20 0.51
▸ ALDH1A1 P00352 1/20 0.51
▸ ALOX15 P16050 1/20 0.51
▸ ATM Q13315 1/20 0.49
▸ TYR P14679 1/20 0.47
▸ F2 P00734 1/20 0.47
▸ PLAU P00749 1/20 0.47
▸ PLAT P00750 1/20 0.47

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
SCHEMBL13866599 1.00 CTRB1 (0.59) CTRB1TACR1CTSLCTSBCTSS
SCHEMBL3893048 1.00 CTRB1 (0.59) CTRB1TACR1CTSLCTSBCTSS
SCHEMBL8026450 0.91 LTA4H (0.53) CTRB1
SCHEMBL7353386 0.90 ATM (0.60) CTRB1CTSLCTSBCTSSCTSK
SCHEMBL8726584 0.86 CTRB1 (0.50) CTRB1CTSLCTSBCTSSCTSK
SCHEMBL7352077 0.85 TRPM8 (0.57) CTRB1TACR1CTSLCTSBCTSS
SCHEMBL7397381 0.83 CTRB1 (0.54) CTRB1TACR1CTSLCTSBCTSS
SCHEMBL9353567 0.82 CTSL (0.58) CTRB1CTSLCTSBCTSSCTSK
SCHEMBL9092203 0.81 NMBR (0.63) TACR1
SCHEMBL1764625 0.81 ATM (0.57) CTRB1TACR1CTSLCTSBCTSS

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 25 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3154997-B9 AURISTATIN DERIVATIVES AND CONJUGATES THEREOF NOVARTIS AG (CH) 2021-04-14 — — EP disclosed
EP-3753578-A1 CYTOTOXIC PEPTIDES AND CONJUGATES THEREOF Novartis AG (CH) 2020-12-23 — — EP disclosed
US-10787480-B2 Cytotoxic peptides and conjugates thereof NOVARTIS AG (CH) 2020-09-29 — — US disclosed
EP-3154997-B1 AURISTATIN DERIVATIVES AND CONJUGATES THEREOF NOVARTIS AG (CH) 2020-02-19 — — EP disclosed
EP-3082877-B1 CYTOTOXIC PEPTIDES AND CONJUGATES THEREOF NOVARTIS AG (CH) 2019-08-28 — — EP disclosed
US-10392421-B2 Cytotoxic peptides and conjugates thereof NOVARTIS AG (CH) 2019-08-27 — — US disclosed
US-20190194315-A1 ANTIBODY DRUG CONJUGATES NOVARTIS AG (CH) 2019-06-27 — — US disclosed
US-10280139-B2 Cytotoxic peptides and conjugates thereof NOVARTIS AG (CH) 2019-05-07 — — US disclosed
US-20180244717-A1 CYTOTOXIC PEPTIDES AND CONJUGATES THEREOF NOVARTIS AG (CH) 2018-08-30 — — US disclosed
US-20180155281-A1 CYTOTOXIC PEPTIDES AND CONJUGATES THEREOF NOVARTIS AG (CH) 2018-06-07 — — US disclosed
EP-3154997-A1 AURISTATIN DERIVATIVES AND CONJUGATES THEREOF Novartis AG (CH) 2017-04-19 — — EP disclosed
WO-2016203432-A1 ANTIBODY DRUG CONJUGATES NOVARTIS AG (CH) 2016-12-22 — — WO disclosed
US-20160311853-A1 CYTOTOXIC PEPTIDES AND CONJUGATES THEREOF NOVARTIS AG (CH) 2016-10-27 — — US disclosed
EP-3082877-A2 CYTOTOXIC PEPTIDES AND CONJUGATES THEREOF Novartis AG (CH) 2016-10-26 — — EP disclosed
WO-2015189791-A1 AURISTATIN DERIVATIVES AND CONJUGATES THEREOF NOVARTIS AG (CH) 2015-12-17 — — WO disclosed
WO-2015095301-A2 CYTOTOXIC PEPTIDES AND CONJUGATES THEREOF IRM LLC (BM) 2015-06-25 — — WO disclosed
US-7521469-B2 Phosphinic amino acid compounds LES LABORATOIRES SERVIER (FR) 2009-04-21 — — US disclosed
US-20080153890-A1 Phosphinic Amino Acid Compounds LES LABORATOIRES SERVER (FR) 2008-06-26 — — US disclosed
EP-0767794-B1 PHOSPHINIC ACID DERIVATIVES SCHERING CORP (US) 2000-02-02 — — EP disclosed
US-5476847-A Treating cardiovascular, gastrointestinal, urogenital disorders SCHERING CORPORATION (US) 1995-12-19 — — 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 (8 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-10787480-B2 Cytotoxic peptides and conjugates thereof CD47, NGLY1, VIP CTRB1 1980/4885TACR1 1092/4885CTSL 601/4885
US-20190194315-A1 ANTIBODY DRUG CONJUGATES EPCAM, CDH1, VIM CTRB1 3808/4885TACR1 1177/4885CTSL 720/4885
US-10392421-B2 Cytotoxic peptides and conjugates thereof CD47, NGLY1, VIP CTRB1 1980/4885TACR1 1092/4885CTSL 601/4885
US-20180244717-A1 CYTOTOXIC PEPTIDES AND CONJUGATES THEREOF CD47, NGLY1, VIP CTRB1 1980/4885TACR1 1092/4885CTSL 601/4885
US-20160311853-A1 CYTOTOXIC PEPTIDES AND CONJUGATES THEREOF CD47, NGLY1, VIP CTRB1 1980/4885TACR1 1092/4885CTSL 601/4885
US-20180155281-A1 CYTOTOXIC PEPTIDES AND CONJUGATES THEREOF CD47, MKI67, NGLY1 CTRB1 2180/4885TACR1 1074/4885CTSL 831/4885
US-20080153890-A1 Phosphinic Amino Acid Compounds NPR1, NPPA, AADAT CTRB1 3520/4885TACR1 409/4885CTSL 2741/4885
US-10280139-B2 Cytotoxic peptides and conjugates thereof CD47, MKI67, NGLY1 CTRB1 2180/4885TACR1 1074/4885CTSL 831/4885

“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.