Sugi Predict

Sugi Predict / Compounds / SCHEMBL1866136

SCHEMBL1866136

SCHEMBL1866136

CCOC(COc1ccccc1Br)OCC

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 4/20 0.48
▸ MEN1 O00255 2/20 0.48
▸ SMN1; SMN2 Q16637 3/20 0.47
▸ GAA P10253 1/20 0.47
▸ ATM Q13315 1/20 0.47
▸ HTR7 P34969 1/20 0.46
▸ POLB P06746 1/20 0.40
▸ MAPT P10636 3/20 0.40
▸ HPGD P15428 3/20 0.40
▸ L3MBTL1 Q9Y468 3/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ RAB9A P51151 4/20 0.39
▸ LMNA P02545 3/20 0.39
▸ NPC1 O15118 3/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ ALOX15 P16050 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ GRM4 Q14833 1/20 0.37

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
SCHEMBL29831530 1.00 KMT2A (0.48) KMT2AMEN1SMN1; SMN2GAAATM
SCHEMBL16048103 0.83 KMT2A (0.35) KMT2AMEN1SMN1; SMN2GAAATM
SCHEMBL13984211 0.83 ALOX15 (0.53) ATMPOLBMAPTL3MBTL1TDP1
SCHEMBL30973459 0.82 SMN1; SMN2 (0.35) KMT2AMEN1SMN1; SMN2GAAATM
SCHEMBL7694021 0.81 KMT2A (0.49) KMT2AMEN1SMN1; SMN2GAAATM
SCHEMBL4356588 0.80 PKM (0.49) KMT2AMEN1SMN1; SMN2POLBMAPT
SCHEMBL12435311 0.80 FFAR1 (0.41) KMT2AMEN1SMN1; SMN2GAAATM
SCHEMBL29678622 0.80 PKM (0.49) KMT2AMEN1SMN1; SMN2POLBMAPT
SCHEMBL4551683 0.80 KDM4E (0.54) KMT2AMEN1SMN1; SMN2MAPTHPGD
SCHEMBL1919969 0.80 LMNA (0.54) SMN1; SMN2POLBMAPTHPGDL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007117482-A2 RENIN INHIBITORS VITAE PHARMACEUTICALS, INC. (US) 2007-10-18 — — WO claimed
CN-112724127-B Five-membered heterocyclic oxocarboxylic acid compound and medical application thereof 中国科学院上海药物研究所 2023-02-17 — — CN disclosed
US-20230032101-A1 FIVE-MEMBERED HETEROCYCLIC OXOCARBOXYLIC ACID COMPOUND AND MEDICAL USE THEREOF SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) 2023-02-02 — — US disclosed
US-20230032101-A1 FIVE-MEMBERED HETEROCYCLIC OXOCARBOXYLIC ACID COMPOUND AND MEDICAL USE THEREOF SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) 2023-02-02 — — US disclosed
EP-3653613-B1 1,3-DI-SUBSTITUTED KETENE COMPOUND AND APPLICATION THEREOF BEBETTER MED INC (CN) 2022-11-16 — — EP disclosed
EP-4053124-A1 FIVE-MEMBERED HETEROCYCLIC OXOCARBOXYLIC ACID COMPOUND AND MEDICAL USE THEREOF Shanghai Institute of Materia Medica, Chinese Academy of Sciences (CN) 2022-09-07 — — EP disclosed
EP-4053124-A1 FIVE-MEMBERED HETEROCYCLIC OXOCARBOXYLIC ACID COMPOUND AND MEDICAL USE THEREOF Shanghai Institute of Materia Medica, Chinese Academy of Sciences (CN) 2022-09-07 — — EP disclosed
CN-114829357-A Five-membered heterocyclic oxocarboxylic acid compound and medical application thereof 中国科学院上海药物研究所 2022-07-29 — — CN disclosed
US-11306102-B2 1,3-di-substituted ketene compound and application thereof BEBETTER MED INC. (CN) 2022-04-19 — — US disclosed
WO-2021083060-A1 FIVE-MEMBERED HETEROCYCLIC OXOCARBOXYLIC ACID COMPOUND AND MEDICAL USE THEREOF 中国科学院上海药物研究所 2021-05-06 — — WO disclosed
US-20090018103-A1 Diaminoalkane Aspartic Protease Inhibitors VITAE PHARMACEUTICAL, INC (US) 2009-01-15 — — US disclosed
US-20090018103-A1 Diaminoalkane Aspartic Protease Inhibitors VITAE PHARMACEUTICAL, INC (US) 2009-01-15 — — US disclosed
US-20090018103-A1 Diaminoalkane Aspartic Protease Inhibitors VITAE PHARMACEUTICAL, INC (US) 2009-01-15 — — US disclosed
EP-2010488-A2 RENIN INHIBITORS Vitae Pharmaceuticals, Inc. (US) 2009-01-07 — — EP disclosed
WO-2007117559-A2 RENIN INHIBITORS VITAE PHARMACEUTICALS, INC. (US) 2007-10-18 — — WO disclosed
WO-2007117560-A2 PIPERIDINE AND MORPHOLINE RENIN INHIBITORS VITAE PHARMACEUTICALS, INC. (US) 2007-10-18 — — WO disclosed
WO-2007117482-A2 RENIN INHIBITORS VITAE PHARMACEUTICALS, INC. (US) 2007-10-18 — — WO disclosed
EP-1807078-A1 DIAMINOALKANE ASPARTIC PROTEASE INHIBITORS Vitae Pharmaceuticals, Inc. (US) 2007-07-18 — — EP disclosed
WO-2006042150-A1 DIAMINOALKANE ASPARTIC PROTEASE INHIBITORS VITAE PHARMACEUTICALS, INC. (US) 2006-04-20 — — WO disclosed
WO-2006042150-A1 DIAMINOALKANE ASPARTIC PROTEASE INHIBITORS VITAE PHARMACEUTICALS, INC. (US) 2006-04-20 — — WO 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-20230032101-A1 FIVE-MEMBERED HETEROCYCLIC OXOCARBOXYLIC ACID COMPOUND AND MEDICAL USE THEREOF STING1, CGAS, IRF3 KMT2A 4730/4885MEN1 1799/4885SMN1; SMN2 3821/4885
US-20090018103-A1 Diaminoalkane Aspartic Protease Inhibitors DNPEP, PEPD, ACE KMT2A 2621/4885MEN1 2596/4885SMN1; SMN2 1477/4885
US-11306102-B2 1,3-di-substituted ketene compound and application thereof PPARA, FABP1, PPARG KMT2A 2224/4885MEN1 4854/4885SMN1; SMN2 3553/4885

“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.