Malic Acid

Malic Acid

SCHEMBL29910932

COCCNCc1ccc(-c2cc3nccc(Oc4ccc(N(C(=O)C5(C(N)=O)CC5)c5ccc(F)cc5)cc4F)c3s2)nc1.O=C(O)CC(O)C(=O)O

nearest known ligand 0.65

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

CACNA1CCACNA1DCACNA1FCACNA1SDRD2HTR1BHTR1DHTR1F

The experimentally established mechanism targets of Malic Acid. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MET P08581 6/20 0.65
KDR P35968 6/20 0.65
AXL P30530 2/20 0.65
FLT3 P36888 2/20 0.65
NTRK1 P04629 1/20 0.65
KIT P10721 1/20 0.65
NTRK2 Q16620 1/20 0.65
MST1R Q04912 16/20 0.56
PLK4 O00444 1/20 0.56
MAP4K4 O95819 1/20 0.56
ABL1 P00519 1/20 0.56
LCK P06239 1/20 0.56
FYN P06241 1/20 0.56
LYN P07948 1/20 0.56
HCK P08631 1/20 0.56
PDGFRB P09619 1/20 0.56
BCR P11274 1/20 0.56
SRC P12931 1/20 0.56
ABL2 P42684 1/20 0.56
FRK P42685 1/20 0.56

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
Malic Acid SCHEMBL26110839 1.00 MET (0.65) METKDRAXLFLT3NTRK1
Malic Acid SCHEMBL29910999 1.00 MET (0.65) METKDRAXLFLT3NTRK1
SCHEMBL103903 0.94 MET (0.73) METKDRAXLFLT3NTRK1
SCHEMBL29514769 0.94 MET (0.73) METKDRAXLFLT3NTRK1
SCHEMBL104989 0.91 MET (0.67) METKDRAXLFLT3NTRK1
SCHEMBL2534615 0.89 MET (0.65) METKDRAXLFLT3NTRK1
SCHEMBL2670680 0.88 MET (0.64) METKDRAXLFLT3NTRK1
Sitravatinib SCHEMBL29514793 0.86 MET (0.87) METKDRAXLFLT3NTRK1
Sitravatinib SCHEMBL29911094 0.86 MET (0.87) METKDRAXLFLT3NTRK1
Sitravatinib SCHEMBL29927156 0.86 MET (0.87) METKDRAXLFLT3NTRK1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11787819-B2 Crystalline salt of a multi-tyrosine kinase inhibitor, method of preparation, and use thereof MIRATI THERAPEPEUTICS, INC. (US) 2023-10-17 US disclosed
US-20220289760-A1 CRYSTALLINE SALT OF A MULTI-TYROSINE KINASE INHIBITOR, METHOD OF PREPARATION, AND USE THEREOF Mirati Therapeutics, Inc. 2022-09-15 US disclosed
WO-2022192507-A1 CRYSTALLINE SALT OF A MULTI-TYROSINE KINASE INHIBITOR, METHOD OF PREPARATION, AND USE THEREOF Mirati Therapeutics, Inc. (US) 2022-09-15 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-20220289760-A1 CRYSTALLINE SALT OF A MULTI-TYROSINE KINASE INHIBITOR, METHOD OF PREPARATION, AND USE THEREOF LCK, MAP2K5, SRC MET 14/4885KDR 733/4885AXL 206/4885
US-11787819-B2 Crystalline salt of a multi-tyrosine kinase inhibitor, method of preparation, and use thereof LCK, MAP2K5, SRC MET 14/4885KDR 733/4885AXL 206/4885

“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.