SCHEMBL3677560

SCHEMBL3677560

CCNC(C(=O)O)C(C)O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.39
TP53 P04637 1/20 0.39
MME P08473 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
PLA2G2A P14555 1/20 0.34
PLA2G5 P39877 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
CA2 P00918 2/20 0.34
NPSR1 Q6W5P4 1/20 0.34
CA1 P00915 1/20 0.34
PDCD1LG2 Q9BQ51 1/20 0.33
CD274 Q9NZQ7 1/20 0.33
CHRM1 P11229 1/20 0.32
AKR1A1 P14550 1/20 0.32
CHRM3 P20309 1/20 0.32
HTR2A P28223 1/20 0.32
HTR2C P28335 1/20 0.32
ADRA1A P35348 1/20 0.32
HRH1 P35367 1/20 0.32
DRD3 P35462 1/20 0.32

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
SCHEMBL19355664 1.00 ALDH1A1 (0.39) ALDH1A1TP53MMESMN1; SMN2PLA2G2A
SCHEMBL3677561 1.00 ALDH1A1 (0.39) ALDH1A1TP53MMESMN1; SMN2PLA2G2A
SCHEMBL10207210 1.00 ALDH1A1 (0.39) ALDH1A1TP53MMESMN1; SMN2PLA2G2A
SCHEMBL1319707 0.83 SMN1; SMN2 (0.44) ALDH1A1TP53SMN1; SMN2PLA2G2APLA2G5
SCHEMBL27282795 0.83 ALDH1A1 (0.36) ALDH1A1TP53SMN1; SMN2PLA2G2APLA2G5
SCHEMBL1319709 0.83 SMN1; SMN2 (0.44) ALDH1A1TP53SMN1; SMN2PLA2G2APLA2G5
SCHEMBL5015591 0.82 SMN1; SMN2 (0.41) ALDH1A1TP53MMESMN1; SMN2PLA2G2A
SCHEMBL5015593 0.82 SMN1; SMN2 (0.41) ALDH1A1TP53MMESMN1; SMN2PLA2G2A
SCHEMBL24593933 0.81 KISS1R (0.31)
Hydrochloric Acid SCHEMBL873158 0.81 SMN1; SMN2 (0.43) ALDH1A1TP53SMN1; SMN2PLA2G2APLA2G5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114907546-B Multifunctional polyurea acid ester derivative and preparation method and application thereof 四川大学 2023-06-02 CN claimed
CN-114907546-B Multifunctional polyurea acid ester derivative and preparation method and application thereof 四川大学 2023-06-02 CN disclosed
US-20220183291-A1 COMPOSITIONS AND METHODS FOR MODULATING IMMUNITY IN PLANTS BOYCE THOMPSON INSTITUTE FOR PLANT RESEARCH, INC. 2022-06-16 US disclosed
US-20210179580-A1 PYRIMIDINE DERIVATIVES AS INHIBITORS OF PD1/PD-L1 ACTIVATION Jubilant Prodel LLC 2021-06-17 US disclosed
EP-3804725-A2 NANOMATERIAL COMPOSITIONS, SYNTHESIS, AND ASSEMBLY Rhode Island Hospital (US) 2021-04-14 EP disclosed
EP-3220914-B1 NANOMATERIAL COMPOSITIONS, SYNTHESIS, AND ASSEMBLY RHODE ISLAND HOSPITAL (US) 2020-09-02 EP disclosed
EP-3668886-A2 TAU AGGREGATION PEPTIDE INHIBITORS Adrx, Inc. (US) 2020-06-24 EP disclosed
CN-109803651-A Immunomodulator compounds 凯莫森特里克斯股份有限公司 2019-05-24 CN disclosed
WO-2019036725-A2 TAU AGGREGATION PEPTIDE INHIBITORS ADRX, INC. (US) 2019-02-21 WO disclosed
CN-105828831-A Novel peptide compositions 塔瑞克斯制药有限公司 2016-08-03 CN disclosed
US-20080188079-A1 METAL-POLISHING COMPOSITION AND CHEMICAL MECHANICAL POLISHING METHOD BY USING THE SAME FUJIFILM CORPORATION (JP) 2008-08-07 US disclosed
EP-1677816-A1 THERAPEUTIC METHOD MONASH UNIVERSITY (AU) 2006-07-12 EP disclosed
WO-2005032578-A1 THERAPEUTIC METHOD MONASH UNIVERSITY (AU) 2005-04-14 WO disclosed
EP-1395661-A2 PROCESS FOR THE PREPARATION OF D-PANTOTHENIC ACID AND/OR SALTS THEREOF Degussa AG (DE) 2004-03-10 EP disclosed
WO-2002101068-A2 PROCESS FOR THE PREPARATION OF D-PANTOTHENIC ACID AND/OR SALTS THEREOF DEGUSSA AG (DE) 2002-12-19 WO disclosed
EP-1084247-A1 DISULFIDE CORE POLYPEPTIDES ZymoGenetics, Inc. (US) 2001-03-21 EP disclosed
WO-1999063091-A1 DISULFIDE CORE POLYPEPTIDES ZYMOGENETICS, INC. (US) 1999-12-09 WO disclosed
EP-0813544-A4 1998-01-07 EP disclosed
EP-0813544-A1 BRADYKININ ANTAGONIST PEPTIDES INCORPORATING N-SUBSTITUTED GLYCINES CORTECH, INC. (US) 1997-12-29 EP disclosed
WO-1995024422-A1 BRADYKININ ANTAGONIST PEPTIDES INCORPORATING N-SUBSTITUTED GLYCINES CORTECH, INC. (US) 1995-09-14 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 (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-20210179580-A1 PYRIMIDINE DERIVATIVES AS INHIBITORS OF PD1/PD-L1 ACTIVATION PDCD1, CD274, PDCD1LG2 ALDH1A1 37/4885TP53 51/4885MME 4459/4885
US-20220183291-A1 COMPOSITIONS AND METHODS FOR MODULATING IMMUNITY IN PLANTS IFNG, STING1, IRF3 ALDH1A1 4576/4885TP53 2726/4885MME 3209/4885

“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.