Sugi Predict

Sugi Predict / Compounds / SCHEMBL7404261

SCHEMBL7404261

SCHEMBL7404261

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

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ABCB1 P08183 2/20 0.53
▸ ALDH1A1 P00352 5/20 0.51
▸ LTA4H P09960 1/20 0.50
▸ MAPT P10636 1/20 0.48
▸ HPGD P15428 1/20 0.48
▸ L3MBTL1 Q9Y468 2/20 0.46
▸ MAPK1 P28482 1/20 0.46
▸ SLC6A2 P23975 1/20 0.46
▸ SLC6A3 Q01959 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ TDP1 Q9NUW8 1/20 0.46
▸ CTSL P07711 2/20 0.45
▸ CTSB P07858 2/20 0.45
▸ CTSS P25774 2/20 0.45
▸ CTSK P43235 2/20 0.45
▸ SIGMAR1 Q99720 1/20 0.44
▸ SLC15A1 P46059 1/20 0.44
▸ CHRNB2 P17787 1/20 0.43
▸ CHRNB4 P30926 1/20 0.43
▸ CHRNA3 P32297 1/20 0.43

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
SCHEMBL381080 1.00 ABCB1 (0.53) ABCB1ALDH1A1LTA4HMAPTHPGD
SCHEMBL381082 1.00 ABCB1 (0.53) ABCB1ALDH1A1LTA4HMAPTHPGD
SCHEMBL23893394 0.94 LTA4H (0.52) ABCB1ALDH1A1LTA4HMAPTHPGD
SCHEMBL21492669 0.89 ALDH1A1 (0.47) ABCB1ALDH1A1LTA4HMAPTHPGD
SCHEMBL21492202 0.89 ALDH1A1 (0.47) ABCB1ALDH1A1LTA4HMAPTHPGD
SCHEMBL10788987 0.89 ABCB1 (0.59) ABCB1ALDH1A1MAPTHPGDL3MBTL1
SCHEMBL13373979 0.88 L3MBTL1 (0.51) ABCB1ALDH1A1MAPTHPGDL3MBTL1
SCHEMBL8276259 0.87 ABCB1 (0.56) ABCB1ALDH1A1MAPTHPGDL3MBTL1
SCHEMBL21952369 0.86 ABCB1 (0.44) ABCB1ALDH1A1LTA4HMAPTHPGD
SCHEMBL20026385 0.86 ABCB1 (0.50) ABCB1ALDH1A1MAPTHPGDL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113135938-B Substituted macrocyclic tyrosine kinase inhibitors and uses thereof 山东轩竹医药科技有限公司 2022-06-14 — — CN disclosed
CN-110028508-B Antitumor diazo bicyclic apoptosis protein inhibitor 南京华威医药科技集团有限公司 2021-05-28 — — CN disclosed
WO-2020228478-A1 ANTI-TUMOR DIAZOBICYCLIC APOPTOSIS PROTEIN INHIBITOR 南京华威医药科技集团有限公司 2020-11-19 — — WO disclosed
US-10259812-B2 CGRP receptor antagonists HEPTARES THERAPEUTICS LIMITED (GB) 2019-04-16 — — US disclosed
US-10259812-B2 CGRP receptor antagonists HEPTARES THERAPEUTICS LIMITED (GB) 2019-04-16 — — US disclosed
WO-2018178938-A1 CGRP RECEPTOR ANTAGONISTS HEPTARES THERAPEUTICS LIMITED (GB) 2018-10-04 — — WO disclosed
EP-3368536-A1 CGRP RECEPTOR ANTAGONISTS Heptares Therapeutics Limited (GB) 2018-09-05 — — EP disclosed
CN-108431005-A Cgrp receptor antagonists 赫普塔瑞斯医疗有限公司 2018-08-21 — — CN disclosed
US-20180110824-A1 Macrocyclic Modulators of the Ghrelin Receptor OCERA THERAPEUTICS, INC. 2018-04-26 — — US disclosed
US-20180009808-A1 CGRP Receptor Antagonists NXERA PHARMA UK LIMITED (GB) 2018-01-11 — — US disclosed
WO-2017072722-A1 CGRP RECEPTOR ANTAGONISTS HEPTARES THERAPEUTICS LIMITED (GB) 2017-05-04 — — WO disclosed
US-9566312-B2 Cyclic peptides and use as medicines NOVARTIS AG (CH) 2017-02-14 — — US disclosed
US-20150306172-A1 CYCLIC PEPTIDES AND USE AS MEDICINES NOVARTIS AG (CH) 2015-10-29 — — US disclosed
EP-2900684-A2 CYCLIC PEPTIDES AND USE AS MEDICINES Novartis AG (CH) 2015-08-05 — — EP disclosed
US-9072696-B2 Cyclic peptides and use as medicines NOVARTIS AG (CH) 2015-07-07 — — US disclosed
US-20140134132-A1 CYCLIC PEPTIDES AND USE AS MEDICINES NOVARTIS AG (CH) 2014-05-15 — — US disclosed
US-8450268-B2 Methods of using macrocyclic modulators of the ghrelin receptor TRANZYME PHARMA INC. (CA) 2013-05-28 — — US disclosed
US-5750648-A HUMAN IMMUNODEFICIENCY VIRUS G.D. SEARLE & CO. (US) 1998-05-12 — — US disclosed
WO-1995006061-A1 RETROVIRAL PROTEASE INHIBITORS AND COMBINATIONS THEREOF G.D. SEARLE & CO. (US) 1995-03-02 — — WO disclosed
US-4533655-A Analgesic dipeptide amides and method of use and compositions thereof STERLING DRUG INC. (US) 1985-08-06 — — 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 (5 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-20180009808-A1 CGRP Receptor Antagonists CALCRL, CALCR, VIPR1 ABCB1 1242/4885ALDH1A1 1124/4885LTA4H 727/4885
US-20180110824-A1 Macrocyclic Modulators of the Ghrelin Receptor GHSR, GIPR, GHRHR ABCB1 3495/4885ALDH1A1 3993/4885LTA4H 2329/4885
US-10259812-B2 CGRP receptor antagonists CALCRL, CALCR, VIPR1 ABCB1 1242/4885ALDH1A1 1124/4885LTA4H 727/4885
US-20140134132-A1 CYCLIC PEPTIDES AND USE AS MEDICINES PPIF, VIP, FKBP1B ABCB1 724/4885ALDH1A1 4005/4885LTA4H 3745/4885
US-20150306172-A1 CYCLIC PEPTIDES AND USE AS MEDICINES PPIF, VIP, MAVS ABCB1 910/4885ALDH1A1 3830/4885LTA4H 3483/4885

“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.