Sugi Predict

Sugi Predict / Compounds / SCHEMBL5564916

SCHEMBL5564916

SCHEMBL5564916

C[C@@H](NC=O)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 5/20 0.52
▸ MEN1 O00255 4/20 0.52
▸ TAAR1 Q96RJ0 1/20 0.52
▸ EPHX1 P07099 1/20 0.45
▸ ALDH1A1 P00352 3/20 0.44
▸ KDM4E B2RXH2 2/20 0.44
▸ TDP1 Q9NUW8 1/20 0.44
▸ HSD17B10 Q99714 2/20 0.44
▸ APAF1 O14727 1/20 0.44
▸ CYP3A4 P08684 2/20 0.44
▸ LMNA P02545 2/20 0.44
▸ CHRM2 P08172 1/20 0.44
▸ HTR1A P08908 1/20 0.44
▸ ADRA2A P08913 1/20 0.44
▸ ADORA3 P0DMS8 1/20 0.44
▸ CHRM1 P11229 1/20 0.44
▸ SMPD1 P17405 1/20 0.44
▸ DRD1 P21728 1/20 0.44
▸ TBXA2R P21731 1/20 0.44
▸ SLC6A2 P23975 1/20 0.44

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
SCHEMBL1911373 1.00 KMT2A (0.52) KMT2AMEN1TAAR1EPHX1ALDH1A1
SCHEMBL5565812 1.00 KMT2A (0.52) KMT2AMEN1TAAR1EPHX1ALDH1A1
SCHEMBL8763413 0.88 ADH1B (0.46) KMT2AMEN1TAAR1EPHX1ALDH1A1
SCHEMBL21985331 0.88 PTGS2 (0.48) KMT2AMEN1TAAR1EPHX1ALDH1A1
SCHEMBL6229722 0.81 CYP3A4 (0.47) KMT2AMEN1ALDH1A1KDM4ETDP1
SCHEMBL3451381 0.79 MEN1 (0.47) KMT2AMEN1ALDH1A1TDP1HSD17B10
SCHEMBL8763408 0.79 HTT (0.53) KMT2AMEN1TAAR1EPHX1ALDH1A1
SCHEMBL11857789 0.78 ESR1 (0.48) KMT2AMEN1TAAR1ALDH1A1KDM4E
SCHEMBL1911630 0.78 HTT (0.46) KMT2AMEN1ALDH1A1KDM4ECYP3A4
SCHEMBL20811278 0.78 FFAR2 (0.46) ALDH1A1HSD17B10GAAHTTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1189891-A1 TRIAZOLE COMPOUNDS AND COMBINATORIAL LIBRARIES THEREOF LION Bioscience AG (DE) 2002-03-27 — — EP claimed
US-6362342-B1 BIOSYNTHESIS; DRUG LIBRARIES LION BIOSCIENCE AG (DE) 2002-03-26 — — US claimed
WO-2001000594-A1 TRIAZOLE COMPOUNDS AND COMBINATORIAL LIBRARIES THEREOF LION BIOSCIENCE AG (DE) 2001-01-04 — — WO claimed
US-11597727-B2 Inhibitors of integrin alpha 2 beta 1 and methods of use THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2023-03-07 — — US disclosed
US-20210387986-A1 INHIBITORS OF INTEGRIN ALPHA 2 BETA 1 AND METHODS OF USE THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2021-12-16 — — US disclosed
EP-3699179-A1 PYRAZOLYL-CONTAINING TRICYCLIC DERIVATIVE, PREPARATION METHOD THEREFOR AND USE THEREOF Jiangsu Hansoh Pharmaceutical Group Co., Ltd. (CN) 2020-08-26 — — EP disclosed
EP-3681871-A1 COMPOSITIONS AND METHODS FOR TREATING BRAIN INJURY Azevan Pharmaceuticals, Inc. (US) 2020-07-22 — — EP disclosed
CN-111295373-A Compositions and methods for treating brain injury 阿泽凡药物公司 2020-06-16 — — CN disclosed
WO-2019055913-A1 COMPOSITIONS AND METHODS FOR TREATING BRAIN INJURY AZEVAN PHARMACEUTICALS, INC. (US) 2019-03-21 — — WO disclosed
EP-2445914-B1 DERIVATIVES OF 6,7-DIHYDRO-5H-IMIDAZO[1,2-a]IMIDAZOLE-3-CARBOXYLIC ACID AMIDES BOEHRINGER INGELHEIM INT (DE) 2015-07-22 — — EP disclosed
EP-2429993-B1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION BOEHRINGER INGELHEIM INT (DE) 2015-01-21 — — EP disclosed
US-7807779-B2 Antineoplastic peptides ABBOTT GMBH & CO. KG (DE) 2010-10-05 — — US disclosed
EP-2149561-A1 TETRAHYDROISOQUINOLIN-1-ONE DERIVATIVE OR SALT THEREOF Astellas Pharma Inc. (JP) 2010-02-03 — — EP disclosed
WO-2008128121-A1 SMAC MIMETIC DIMERS AND TRIMERS USEFUL AS ANTI-CANCER AGENTS JOYANT PHARMACEUTICALS, INC. (US) 2008-10-23 — — WO disclosed
US-20080234205-A1 Antineoplastic peptides ABBOTT GMBH & CO. KG (DE) 2008-09-25 — — US disclosed
US-7368528-B2 Antineoplastic peptides ABBOTT GMBH & CO. KG (DE) 2008-05-06 — — US disclosed
US-20080090797-A1 {Beta}-Lactamyl vasopression V1a antagonists and methods of use AZEVAN PHARMACEUTICALS, INC. (US) 2008-04-17 — — US disclosed
US-7217794-B2 Compounds and methods for treatment of thrombosis DAIAMED, INC. (US) 2007-05-15 — — US disclosed
US-20050256159-A1 1,4-disubstituted piperidine derivatives and their use as 11,betahsd1 inhibitors ASTRAZENECA AB (SE) 2005-11-17 — — US disclosed
US-20050143317-A1 Compounds and methods for treatment of thrombosis EXITHERA PHARMACEUTICALS LLC 2005-06-30 — — 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 (6 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-11597727-B2 Inhibitors of integrin alpha 2 beta 1 and methods of use ITGB1, ITGB2, ITGA2 KMT2A 3209/4885MEN1 4127/4885TAAR1 4258/4885
US-20210387986-A1 INHIBITORS OF INTEGRIN ALPHA 2 BETA 1 AND METHODS OF USE ITGB1, ITGB2, ITGA2 KMT2A 3209/4885MEN1 4127/4885TAAR1 4258/4885
US-20050143317-A1 Compounds and methods for treatment of thrombosis SERPINC1, F11, F13B KMT2A 2514/4885MEN1 1416/4885TAAR1 4602/4885
US-20080090797-A1 {Beta}-Lactamyl vasopression V1a antagonists and methods of use AVPR1A, AVPR2, AVPR1B KMT2A 3006/4885MEN1 311/4885TAAR1 458/4885
US-20080234205-A1 Antineoplastic peptides BCL2A1, ETF1, BAK1 KMT2A 2532/4885MEN1 1274/4885TAAR1 3986/4885
US-20050256159-A1 1,4-disubstituted piperidine derivatives and their use as 11,betahsd1 inhibitors HSD11B1, HSD3B1, P4HA1 KMT2A 1395/4885MEN1 2970/4885TAAR1 2377/4885

“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.