Malic Acid

Malic Acid

SCHEMBL6399751

CN[C@@H]1Cc2cccc3[nH]c(=S)n(c23)C1.O=C(O)CC(O)C(=O)O

nearest known ligand 0.55

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 3)

geneUniProtsupporting neighboursconfidence
DRD2 known ✓ P14416 9/20 0.55
HTR1A P08908 16/20 0.55
DRD3 P35462 8/20 0.55

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
SCHEMBL1752535 0.84 HTR1A (0.71) HTR1ADRD2DRD3
SCHEMBL5141708 0.84 HTR1A (0.71) HTR1ADRD2DRD3
Fumaric Acid SCHEMBL5906537 0.83 HTR1A (0.62) HTR1ADRD2DRD3
Maleic Acid SCHEMBL5906535 0.83 HTR1A (0.62) HTR1ADRD2DRD3
Sumanirole SCHEMBL6269816 0.72 HTR1A (1.00) HTR1ADRD2DRD3
Sumanirole SCHEMBL154412 0.72 HTR1A (1.00) HTR1ADRD2DRD3
Sumanirole SCHEMBL7046470 0.72 HTR1A (0.82) HTR1ADRD2DRD3
Sumanirole SCHEMBL5906552 0.71 HTR1A (0.97) HTR1ADRD2DRD3
SCHEMBL5424144 0.65 HTR1A (0.70) HTR1ADRD2DRD3
SCHEMBL7344870 0.63 HTR1A (1.00) HTR1ADRD2DRD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040214823-A1 Method of treating sexual disturbances PHARMACIA & UPJOHN COMPANY 2004-10-28 US claimed
US-20030013710-A1 Method of treating sexual disturbances MCCALL ROBERT B (US) 2003-01-16 US claimed
US-20030004152-A1 Method of treating sexual disturbances MCCALL ROBERT B (US) 2003-01-02 US claimed
US-20020198187-A1 Method of treating sexual disturbances MCCALL ROBERT B (US) 2002-12-26 US claimed
US-20020107247-A1 Method of treating sexual disturbances MCCALL ROBERT B (US) 2002-08-08 US claimed
US-6921771-B2 Method of treating sexual disturbances PHARMACIA & UPJOHN COMPANY (US) 2005-07-26 US disclosed
US-6903127-B2 Method of treating sexual disturbances PHARMACIA & UPJOHN COMPANY (US) 2005-06-07 US disclosed
US-6890945-B2 Method of treating sexual disturbances PHARMACIA & UPJOHN COMPANY (US) 2005-05-10 US disclosed
US-20040214826-A1 Method of treating sexual disturbances PHARMACIA & UPJOHN COMPANY 2004-10-28 US disclosed
US-20040214825-A1 treating sexual disorders using (5R)-5-(methylamino)-5,6-dihydro-4H-imidazo[4,5,1-ij]quinoline-2(1H)-thione PHARMACIA & UPJOHN COMPANY 2004-10-28 US disclosed
US-20040214824-A1 Method of treating sexual disturbances PHARMACIA & UPJOHN COMPANY 2004-10-28 US disclosed
US-20040214823-A1 Method of treating sexual disturbances PHARMACIA & UPJOHN COMPANY 2004-10-28 US disclosed
US-6809112-B2 ADMINISTERING A SEXUALLY THERAPEUTICALLY EFFECTIVE AMOUNT OF A COMPOUND HAVING THE FORMULA LIKE (5R)-5-(METHYLAMINO)-5,6-DIHYDRO-4H-IMIDAZO(4,5,1-IJ)QUINOLINE-2(1H)-THIONE PHARMACIA & UPJOHN COMPANY 2004-10-26 US disclosed
US-20040142937-A1 Use of heterocyclic amine-type compounds as neuroprotective agents PHARMACIA & UPJOHN COMPANY 2004-07-22 US disclosed
US-20030013710-A1 Method of treating sexual disturbances MCCALL ROBERT B (US) 2003-01-16 US disclosed
US-20030004152-A1 Method of treating sexual disturbances MCCALL ROBERT B (US) 2003-01-02 US disclosed
US-20020198187-A1 Method of treating sexual disturbances MCCALL ROBERT B (US) 2002-12-26 US disclosed
US-6455564-B1 ORAL ADMINISTRATION OF (5R)-(METHYLAMINO)-5,6-DIHYDRO-4H-IMIDAZO(4,5,1-IJ)QUINOLIN-2( '1H)-ONE OR -THIONE PHARMACIA & UPJOHN COMPANY 2002-09-24 US disclosed
US-20020107247-A1 Method of treating sexual disturbances MCCALL ROBERT B (US) 2002-08-08 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 (9 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-20040214824-A1 Method of treating sexual disturbances CYP19A1, CYP17A1, CYP21A2 DRD2 332/4885HTR1A 43/4885DRD3 295/4885
US-20040214825-A1 treating sexual disorders using (5R)-5-(methylamino)-5,6-dihydro-4H-imidazo[4,5,1-ij]quinoline-2(1H)-thione SULT1A1, CYP19A1, SHBG DRD2 302/4885HTR1A 46/4885DRD3 496/4885
US-20040214826-A1 Method of treating sexual disturbances CYP19A1, CYP17A1, CYP21A2 DRD2 332/4885HTR1A 43/4885DRD3 295/4885
US-20030004152-A1 Method of treating sexual disturbances CYP19A1, CYP17A1, CYP21A2 DRD2 332/4885HTR1A 43/4885DRD3 295/4885
US-20040142937-A1 Use of heterocyclic amine-type compounds as neuroprotective agents NLN, GAP43, BDNF DRD2 238/4885HTR1A 113/4885DRD3 582/4885
US-20020107247-A1 Method of treating sexual disturbances CYP19A1, CYP17A1, CYP21A2 DRD2 332/4885HTR1A 43/4885DRD3 295/4885
US-20030013710-A1 Method of treating sexual disturbances CYP19A1, CYP17A1, CYP21A2 DRD2 332/4885HTR1A 43/4885DRD3 295/4885
US-20020198187-A1 Method of treating sexual disturbances CYP19A1, CYP17A1, CYP21A2 DRD2 332/4885HTR1A 43/4885DRD3 295/4885
US-20040214823-A1 Method of treating sexual disturbances CYP19A1, CYP17A1, CYP21A2 DRD2 332/4885HTR1A 43/4885DRD3 295/4885

“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.