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SCHEMBL5087907

SCHEMBL5087907

O=C(O)[C@@H](NCc1ccccc1)[C@@H](NCc1ccccc1)C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.51
▸ ACP3 P15309 3/20 0.50
▸ SIGMAR1 Q99720 1/20 0.48
▸ CYP1A2 P05177 2/20 0.48
▸ THRB P10828 1/20 0.48
▸ IDO1 P14902 1/20 0.48
▸ GAA P10253 1/20 0.47
▸ TRPM8 Q7Z2W7 1/20 0.47
▸ MEN1 O00255 2/20 0.46
▸ KMT2A Q03164 2/20 0.46
▸ POLB P06746 1/20 0.46
▸ MAPT P10636 1/20 0.46
▸ SRR Q9GZT4 1/20 0.46
▸ CYP2D6 P10635 1/20 0.46
▸ CYP2C9 P11712 1/20 0.46
▸ TSHR P16473 1/20 0.46
▸ CYP2C19 P33261 1/20 0.46

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
SCHEMBL27853244 1.00 ALDH1A1 (0.51) ALDH1A1ACP3SIGMAR1CYP1A2THRB
SCHEMBL5085491 1.00 ALDH1A1 (0.51) ALDH1A1ACP3SIGMAR1CYP1A2THRB
SCHEMBL8065362 0.88 ALDH1A1 (0.62) ALDH1A1SIGMAR1GAATRPM8MEN1
SCHEMBL29060375 0.88 ALDH1A1 (0.62) ALDH1A1SIGMAR1GAATRPM8MEN1
SCHEMBL8349459 0.88 ALDH1A1 (0.62) ALDH1A1SIGMAR1GAATRPM8MEN1
SCHEMBL8093317 0.88 ALDH1A1 (0.54) ALDH1A1ACP3SIGMAR1TRPM8MEN1
Hydrochloric Acid SCHEMBL28019583 0.87 ALDH1A1 (0.60) ALDH1A1ACP3SIGMAR1GAAMEN1
SCHEMBL7876545 0.87 ALDH1A1 (0.53) ALDH1A1SIGMAR1TRPM8MEN1KMT2A
SCHEMBL7599136 0.87 ALDH1A1 (0.53) ALDH1A1SIGMAR1TRPM8MEN1KMT2A
SCHEMBL31336702 0.87 ALDH1A1 (0.53) ALDH1A1SIGMAR1TRPM8MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1127879-B1 Preparation of 2-oxo-1,3-dibenzyl-cis-4,5-imidazolidin dicarboxylic acid and its anhydrid DSM IP ASSETS BV (NL) 2005-05-25 — — EP claimed
US-6344565-B1 REACTION OF BIS(BENZYLAMINO)SUCCINIC ACID DIALKALI METAL SALT WITH TRIPHOSGENE, ACIDIFICATION IN WATER ROCHE VITAMINS, INC. 2002-02-05 — — US claimed
US-6291681-B1 REACTING MESO-2,3-BIS(BENZYLAMINO)SUCCINIC ACID DIALKALI METAL SALT WITH PHENYL CHLOROFORMATE; ACIDIFICATION, ISOLATING 2-OXO-1,3-DIBENZYL-CIS-4,5-IMIDAZOLIDINEDICARBOXYLIC ACID; HEATING WITH ACETIC ANHYDRIDE TO PRODUCE ANHYDRIDE COMPOUND ROCHE VITAMINS INC. 2001-09-18 — — US claimed
US-20010020101-A1 Process for preparing biotin F. HOFFMANN-LA ROCHE AG 2001-09-06 — — US claimed
US-5151525-A Process for producing 2-oxo-1,3-dibenzyl-4,5-cis-imidazolidinedicarboxylic acid PPG INDUSTRIES, INC. (US) 1992-09-29 — — US claimed
US-20230115871-A1 A CONJUGATE OF A CYTOTOXIC AGENT TO A CELL BINDING MOLECULE WITH BRANCHED LINKERS HANGZHOU DAC BIOTECH CO., LTD (CN) 2023-04-13 — — US disclosed
US-20230010108-A1 A CONJUGATION LINKER CONTAINING 2,3-DIAMINOSUCCINYL GROUP HANGZHOU DAC BIOTECH CO., LTD. (CN) 2023-01-12 — — US disclosed
US-20230010108-A1 A CONJUGATION LINKER CONTAINING 2,3-DIAMINOSUCCINYL GROUP HANGZHOU DAC BIOTECH CO., LTD. (CN) 2023-01-12 — — US disclosed
US-20210169896-A1 A CROSS-LINKED PYRROLOBENZODIAZEPINE DIMER (PBD) DERIVATIVE AND ITS CONJUGATES HANGZHOU DAC BIOTECH CO., LTD. (CN) 2021-06-10 — — US disclosed
US-20210169896-A1 A CROSS-LINKED PYRROLOBENZODIAZEPINE DIMER (PBD) DERIVATIVE AND ITS CONJUGATES HANGZHOU DAC BIOTECH CO., LTD. (CN) 2021-06-10 — — US disclosed
WO-2008071696-A1 IMPROVED PROCESS FOR PREPARING SUBSTITUTED CARBOXYLIC ANHYDRIDES DSM IP ASSETS BV (CH) 2008-06-19 — — WO disclosed
CN-1170821-C Preparation of naphthenic acid DSM IP �ʲ����޹�˾ 2004-10-13 — — CN disclosed
US-20010020101-A1 Process for preparing biotin F. HOFFMANN-LA ROCHE AG 2001-09-06 — — US disclosed
CN-1310176-A Production of cyclic acid HOFFMANN LA ROCHE (CH) 2001-08-29 — — CN disclosed
JP-2001081078-A PRODUCTION OF CYCLIC ACID F HOFFMANN LA ROCHE AG 2001-03-27 — — JP disclosed
CN-1286249-A Preparation of naphthenic acid HOFFMANN LA ROCHE (CH) 2001-03-07 — — CN disclosed
US-5610141-A CELL DIVISION STIMULANT NYCOMED IMAGING AS (NO) 1997-03-11 — — US disclosed
WO-1993024523-A1 DOUBLE CHAIN PEPTIDE COMPOUNDS HAVING HEMOREGULATORY ACTIVITY HAFSLUND NYCOMED AS (NO) 1993-12-09 — — WO disclosed
US-5151525-A Process for producing 2-oxo-1,3-dibenzyl-4,5-cis-imidazolidinedicarboxylic acid PPG INDUSTRIES, INC. (US) 1992-09-29 — — US disclosed
US-5151525-A Process for producing 2-oxo-1,3-dibenzyl-4,5-cis-imidazolidinedicarboxylic acid PPG INDUSTRIES, INC. (US) 1992-09-29 — — 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 (4 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-20210169896-A1 A CROSS-LINKED PYRROLOBENZODIAZEPINE DIMER (PBD) DERIVATIVE AND ITS CONJUGATES PBDC1, BRD2, CD79B ALDH1A1 2260/4885ACP3 2764/4885SIGMAR1 4104/4885
US-20230010108-A1 A CONJUGATION LINKER CONTAINING 2,3-DIAMINOSUCCINYL GROUP DAO, DDO, DCLRE1A ALDH1A1 60/4885ACP3 1508/4885SIGMAR1 1688/4885
US-20010020101-A1 Process for preparing biotin OGDH, BTD, DDC ALDH1A1 444/4885ACP3 1517/4885SIGMAR1 3534/4885
US-20230115871-A1 A CONJUGATE OF A CYTOTOXIC AGENT TO A CELL BINDING MOLECULE WITH BRANCHED LINKERS CD2BP2, EPCAM, CD74 ALDH1A1 2397/4885ACP3 1592/4885SIGMAR1 3560/4885

“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.