SCHEMBL5812880

SCHEMBL5812880

COC(=O)[C@H](CC(C)C)NC(C)=O

nearest known ligand 0.64

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.64
▸ TAS1R3 Q7RTX0 9/20 0.54
▸ TAS1R1 Q7RTX1 9/20 0.54
▸ BIRC2 Q13490 1/20 0.51
▸ POLB P06746 1/20 0.51
▸ FOLH1 Q04609 1/20 0.50
▸ SMN1; SMN2 Q16637 1/20 0.49
▸ NOS3 P29474 2/20 0.47
▸ NOS1 P29475 2/20 0.47
▸ NOS2 P35228 2/20 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
SCHEMBL245758 1.00 ALDH1A1 (0.64) ALDH1A1TAS1R3TAS1R1BIRC2POLB
SCHEMBL11316551 1.00 ALDH1A1 (0.64) ALDH1A1TAS1R3TAS1R1BIRC2POLB
SCHEMBL24178319 0.93 BIRC2 (0.57) ALDH1A1TAS1R3TAS1R1BIRC2POLB
SCHEMBL5808683 0.84 ALDH1A1 (0.60) ALDH1A1TAS1R3TAS1R1BIRC2POLB
SCHEMBL10795132 0.84 ALDH1A1 (0.60) ALDH1A1TAS1R3TAS1R1BIRC2POLB
SCHEMBL5813379 0.84 ALDH1A1 (0.60) ALDH1A1TAS1R3TAS1R1BIRC2POLB
SCHEMBL5813383 0.84 ALDH1A1 (0.60) ALDH1A1TAS1R3TAS1R1BIRC2POLB
SCHEMBL5808681 0.84 ALDH1A1 (0.60) ALDH1A1TAS1R3TAS1R1BIRC2POLB
SCHEMBL21488669 0.84 ALDH1A1 (0.60) ALDH1A1TAS1R3TAS1R1BIRC2POLB
SCHEMBL15435453 0.84 ALDH1A1 (0.60) ALDH1A1TAS1R3TAS1R1BIRC2POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3511318-A1 IMMUNOSTIMULATING AGENT AJINOMOTO CO., INC. (JP) 2019-07-17 — — EP claimed
EP-3368508-A1 IMMUNOSTIMULATING AGENT AJINOMOTO CO., INC. (JP) 2018-09-05 — — EP claimed
US-20180243421-A1 IMMUNOSTIMULATING AGENT AJINOMOTO CO., INC. (JP) 2018-08-30 — — US claimed
WO-2017073797-A1 IMMUNOSTIMULATING AGENT AJINOMOTO CO., INC. (JP) 2017-05-04 — — WO claimed
WO-2006119283-A2 ANTI-ODOR COMPOSITIONS AND THERAPEUTIC USE YU RUEY J (US) 2006-11-09 — — WO claimed
US-20060251597-A1 ANTI-ODOR COMPOSITIONS AND THERAPEUTIC USE YU RUEY J 2006-11-09 — — US claimed
US-4259441-A Process for resolving D, L-leucine ETHYL CORPORATION (US) 1981-03-31 — — US claimed
US-20240208895-A1 BRANCHED-CHAIN AMINO ACID DERIVATIVES TO TREAT DISEASE Intrabio Ltd. (GB) 2024-06-27 — — US disclosed
WO-2021038426-A1 SUBSTITUTED 1,3-PHENYL HETEROARYL DERIVATIVES AND THEIR USE IN THE TREATMENT OF DISEASE NOVARTIS AG (CH) 2021-03-04 — — WO disclosed
EP-3511318-A1 IMMUNOSTIMULATING AGENT AJINOMOTO CO., INC. (JP) 2019-07-17 — — EP disclosed
EP-3368508-A1 IMMUNOSTIMULATING AGENT AJINOMOTO CO., INC. (JP) 2018-09-05 — — EP disclosed
US-20180243421-A1 IMMUNOSTIMULATING AGENT AJINOMOTO CO., INC. (JP) 2018-08-30 — — US disclosed
WO-2017073797-A1 IMMUNOSTIMULATING AGENT AJINOMOTO CO., INC. (JP) 2017-05-04 — — WO disclosed
US-5329015-A Catalysts for stereospecific reactions E. I. DU PONT DE NEMOURS AND COMPANY (US) 1994-07-12 — — US disclosed
EP-0592552-A1 CHIRAL PHOSPHOLANES VIA CHIRAL 1,4-DIOL CYCLIC SULFATES. DU PONT (US) 1994-04-20 — — EP disclosed
WO-1993001199-A1 CHIRAL PHOSPHOLANES VIA CHIRAL 1,4-DIOL CYCLIC SULFATES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1993-01-21 — — WO disclosed
US-5171892-A Chiral phospholanes via chiral 1,4-diol cyclic sulfates E. I. DU PONT DE NEMOURS AND COMPANY (US) 1992-12-15 — — US disclosed
US-4670395-A Enantioselective hydrolysis of N-acylamino acid esters using a combined enzyme system THE STANDARD OIL COMPANY (US) 1987-06-02 — — US disclosed
US-4259441-A Process for resolving D, L-leucine ETHYL CORPORATION (US) 1981-03-31 — — US disclosed
US-RE29843-E Substituted thiazoles and flavoring processes and products produced thereby INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1978-11-21 — — 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 (2 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-20180243421-A1 IMMUNOSTIMULATING AGENT MYD88, IL2, IFNG ALDH1A1 2303/4885TAS1R3 3987/4885TAS1R1 3730/4885
US-20240208895-A1 BRANCHED-CHAIN AMINO ACID DERIVATIVES TO TREAT DISEASE CTSA, GBA1, GAA ALDH1A1 2303/4885TAS1R3 921/4885TAS1R1 871/4885

“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.

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