Aminosalicylic Acid

Aminosalicylic Acid

SCHEMBL871847

Nc1ccc(C(=O)O)c(O)c1.Nc1ccc(C(=O)O)c(O)c1.Nc1ccc(C(=O)O)c(O)c1.[CaH2]

nearest known ligand 0.96

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

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The experimentally established mechanism targets of Aminosalicylic 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
ALDH1A1 P00352 9/20 0.96
KDM4E B2RXH2 8/20 0.96
MAPT P10636 5/20 0.96
CYP3A4 P08684 3/20 0.96
GAA P10253 2/20 0.96
PTPN1 P18031 2/20 0.96
ESR2 Q92731 1/20 0.96
TDP1 Q9NUW8 5/20 0.67
HPGD P15428 5/20 0.67
HSD17B10 Q99714 4/20 0.67
MEN1 O00255 3/20 0.67
KMT2A Q03164 3/20 0.67
KDR P35968 2/20 0.67
THRB P10828 2/20 0.67
RECQL P46063 2/20 0.67
CYP2C9 P11712 2/20 0.67
TNF P01375 1/20 0.67
HSPD1 P10809 1/20 0.67
ALOX15 P16050 1/20 0.67
CASP1 P29466 1/20 0.67

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
Aminosalicylic Acid SCHEMBL1047422 1.00 ALDH1A1 (0.96) ALDH1A1KDM4EMAPTCYP3A4GAA
Aminosalicylic Acid SCHEMBL6400626 0.98 ALDH1A1 (0.92) ALDH1A1KDM4EMAPTCYP3A4GAA
Aminosalicylic Acid SCHEMBL6400637 0.98 ALDH1A1 (0.92) ALDH1A1KDM4EMAPTCYP3A4GAA
Aminosalicylic Acid SCHEMBL3333393 0.98 ALDH1A1 (1.00) ALDH1A1KDM4EMAPTCYP3A4GAA
Aminosalicylic Acid SCHEMBL2262 0.98 ALDH1A1 (1.00) ALDH1A1KDM4EMAPTCYP3A4GAA
Aminosalicylic Acid SCHEMBL30337954 0.98 ALDH1A1 (1.00) ALDH1A1KDM4EMAPTCYP3A4GAA
Aminosalicylic Acid SCHEMBL29450213 0.98 ALDH1A1 (1.00) ALDH1A1KDM4EMAPTCYP3A4GAA
Aminosalicylic Acid SCHEMBL564092 0.96 ALDH1A1 (0.96) ALDH1A1KDM4EMAPTCYP3A4GAA
Aminosalicylic Acid SCHEMBL11788850 0.96 ALDH1A1 (0.96) ALDH1A1KDM4EMAPTCYP3A4GAA
Aminosalicylic Acid SCHEMBL29030136 0.96 ALDH1A1 (0.96) ALDH1A1KDM4EMAPTCYP3A4GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120077856-A1 PHARMACEUTICAL PRODUCT TAKEDA PHARMACEUTICAL COMPANY LIMITED 2012-03-29 US disclosed
EP-2366389-A1 Severe sepsis preventive therapeutic agent Takeda Pharmaceutical Company Limited (JP) 2011-09-21 EP disclosed
US-20110184034-A1 Severe sepsis preventive therapeutic agent TAKEDA PHARMACEUTICAL COMPANY LIMITED 2011-07-28 US disclosed
US-7960416-B2 Oil-in-water emulsion of a 1-carboxylate-6-arylsulfamoyl cyclohexene and synthetic and naturally occurring phospholipids; nitric oxide or cytokine prodution inhibitors; cardiovascular disorders, autoimmune dieseases, septic shock; improved stability during autoclave sterilization TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-06-14 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-20110184034-A1 Severe sepsis preventive therapeutic agent TLR1, TLR5, TLR4 ALDH1A1 3168/4885KDM4E 4235/4885MAPT 4726/4885
US-20120077856-A1 PHARMACEUTICAL PRODUCT ATF1, ATF4, TLR8 ALDH1A1 939/4885KDM4E 3462/4885MAPT 2911/4885

“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.