SCHEMBL5889370

SCHEMBL5889370

COc1ccc(C(=O)C[C@@H](NC(=O)C(F)(F)F)C(=O)O)cc1F

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.50
LMNA P02545 1/20 0.50
MAPK1 P28482 1/20 0.50
RAB9A P51151 1/20 0.50
TAS1R3 Q7RTX0 1/20 0.48
TAS1R1 Q7RTX1 1/20 0.48
PRSS1 P07477 10/20 0.43
TMPRSS15 P98073 10/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
ALDH1A1 P00352 1/20 0.43
MAPT P10636 1/20 0.43
HRH3 Q9Y5N1 2/20 0.41
ACHE P22303 1/20 0.41
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40

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
SCHEMBL5351455 1.00 HTT (0.50) HTTLMNAMAPK1RAB9ATAS1R3
SCHEMBL5355623 1.00 HTT (0.50) HTTLMNAMAPK1RAB9ATAS1R3
SCHEMBL7821313 0.91 CYP1A2 (0.48) LMNAMEN1KMT2AALDH1A1MAPT
SCHEMBL7821304 0.91 CYP1A2 (0.48) LMNAMEN1KMT2AALDH1A1MAPT
SCHEMBL7912394 0.87 TAS1R3 (0.47) HTTLMNARAB9ATAS1R3TAS1R1
SCHEMBL7899441 0.87 TAS1R3 (0.47) HTTLMNARAB9ATAS1R3TAS1R1
SCHEMBL7908375 0.85 CES2 (0.40) MAPK1RAB9APRSS1TMPRSS15MAPT
SCHEMBL7899386 0.85 CES2 (0.40) MAPK1RAB9APRSS1TMPRSS15MAPT
SCHEMBL7908401 0.85 CES2 (0.40) MAPK1RAB9APRSS1TMPRSS15MAPT
SCHEMBL5889359 0.79 TAS1R3 (0.43) HTTLMNAMAPK1RAB9ATAS1R3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7041703-B2 2-aminotetralines and pharmaceutical compositions for the prevention and therapeutic treatment of inflammatory and/or autoimmune pathologies SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) 2006-05-09 US disclosed
US-6849663-B2 2-Aminotetralines, a process for their preparation, and pharmaceutical compositions, for the prevention and therapeutic treatment of inflammatory and/or autoimmune pathologies SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) 2005-02-01 US disclosed
US-20030229148-A1 2-aminotetralines, a process for their preparation, and pharmaceutical compositions, for the prevention and therapeutic treatment of inflammatory and/or autoimmune pathologies SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. 2003-12-11 US disclosed
EP-1017667-B1 2-Amino-6-methyl-7-acetyl-tetraline and pharmaceutical compositions for the prevention and therapeutic treatment of inflammatory and/or autoimmune pathologies SIGMA TAU IND FARMACEUTI (IT) 2003-11-19 EP disclosed
US-20030158266-A1 2-aminotetralines, a process for their preparation, and pharmaceutical compositions, for the prevention and therapeutic treatment of inflammatory and/or autoimmune pathologies SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. 2003-08-21 US disclosed
US-20020123652-A1 2-AMINOTETRALINES AND PHARMACEUTICAL COMPOSITIONS FOR THE PREVENTION AND THERAPEUTIC TREATMENT OF INFLAMMATORY AND/OR AUTOIMMUNE PATHOLOGIES SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A (IT) 2002-09-05 US disclosed
US-6207709-B1 FOR THERAPY AND PROPHYLAXIS OF NEURODEGENERATIVE DISEASES, SUCH AS HUNTINGTON'S CHOREA, ALZHEIMER'S DISEASE, DEMENTIA CAUSED BY AQUIRED IMMUNODEFICIENCY SYNDROME (AIDS), INFARCTUAL DEMENTIA, CEREBRAL ISCHEMIA, CEREBRAL HYPOXIA, EPILEPSY PHARMACIA & UPJOHN S.P.A. (IT) 2001-03-27 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 (3 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-20020123652-A1 2-AMINOTETRALINES AND PHARMACEUTICAL COMPOSITIONS FOR THE PREVENTION AND THERAPEUTIC TREATMENT OF INFLAMMATORY AND/OR AUTOIMMUNE PATHOLOGIES AADAT, IL2, TPMT HTT 1541/4885LMNA 2606/4885MAPK1 3526/4885
US-20030229148-A1 2-aminotetralines, a process for their preparation, and pharmaceutical compositions, for the prevention and therapeutic treatment of inflammatory and/or autoimmune pathologies AADAT, IL2, TPMT HTT 1280/4885LMNA 2373/4885MAPK1 3177/4885
US-20030158266-A1 2-aminotetralines, a process for their preparation, and pharmaceutical compositions, for the prevention and therapeutic treatment of inflammatory and/or autoimmune pathologies AADAT, IL2, TPMT HTT 1280/4885LMNA 2373/4885MAPK1 3177/4885

“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.