Gentisic Acid

Gentisic Acid

SCHEMBL30233582

O=C(O)c1cc(O)ccc1O.O=C(O)c1cc(O)ccc1O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 4/20 1.00
CA2 P00918 4/20 1.00
CA12 O43570 3/20 1.00
CA7 P43166 3/20 1.00
CA9 Q16790 3/20 1.00
CA14 Q9ULX7 3/20 1.00
PTGS2 P35354 3/20 1.00
ALOX5 P09917 1/20 1.00
ALDH1A1 P00352 3/20 0.67
TSHR P16473 1/20 0.67
MEN1 O00255 2/20 0.61
KDR P35968 2/20 0.61
KMT2A Q03164 2/20 0.61
HSD17B10 Q99714 2/20 0.61
TDP1 Q9NUW8 2/20 0.61
KDM4E B2RXH2 1/20 0.61
TNF P01375 1/20 0.61
CYP3A4 P08684 1/20 0.61
HSPD1 P10809 1/20 0.61
THRB P10828 1/20 0.61

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
Gentisic Acid SCHEMBL29349919 1.00 CA1 (1.00) CA1CA2CA12CA7CA9
Gentisic Acid SCHEMBL3690 1.00 CA1 (1.00) CA1CA2CA12CA7CA9
Gentisic Acid SCHEMBL2053863 1.00 CA1 (1.00) CA1CA2CA12CA7CA9
Gentisic Acid SCHEMBL455606 0.98 CA1 (0.95) CA1CA2CA12CA7CA9
Gentisic Acid SCHEMBL344389 0.98 CA1 (0.95) CA1CA2CA12CA7CA9
Gentisic Acid SCHEMBL450480 0.98 CA1 (0.95) CA1CA2CA12CA7CA9
Gentisic Acid SCHEMBL8922036 0.98 CA1 (0.95) CA1CA2CA12CA7CA9
Gentisic Acid SCHEMBL3981503 0.98 CA1 (0.95) CA1CA2CA12CA7CA9
Gentisic Acid SCHEMBL10975219 0.98 CA1 (0.95) CA1CA2CA12CA7CA9
Gentisic Acid SCHEMBL10980548 0.98 CA1 (0.95) CA1CA2CA12CA7CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12617776-B2 Stable salt and crystal forms of 2-[3-({1-[2-(dimethylamino)ethyl]-2-(2,2-dimethylpropyl)-1H-1,3-benzodiazol-5-yl}sulfonyl)azetidin-1-yl]ethan-1-ol ASKAT INC. (JP) 2026-05-05 US disclosed
CN-118973577-A Apostistin for the treatment of multiple system atrophy 施万生物制药研发IP有限责任公司 2024-11-15 CN disclosed
US-20240352004-A1 STABLE SALT AND CRYSTAL FORMS OF 2-[3-({1-[2-(DIMETHYLAMINO)ETHYL]-2-(2,2-DIMETHYLPROPYL)-1H-1,3-BENZODIAZOL-5-YL}SULFONYL)AZETIDIN-1-YL]ETHAN-1-OL ASKAT INC. (JP) 2024-10-24 US disclosed
CN-118561820-A Stable salts and crystalline forms of small molecule compounds having selective CB2 receptor agonistic activity 株式会社AskAt 2024-08-30 CN disclosed
CN-116322672-B Stable salts and crystalline forms of 2- [3- ({ 1- [2- (dimethylamino) ethyl ] -2- (2, 2-dimethylpropyl) -1H-1, 3-benzodiazepine-5-yl } sulfonyl) azetidin-1-yl ] ethan-1-ol 株式会社AskAt 2024-04-09 CN disclosed
US-20230322737-A1 STABLE SALT AND CRYSTAL FORMS OF 2-[3-({1-[2-(DIMETHYLAMINO)ETHYL]-2-(2,2-DIMETHYLPROPYL)-1H-1,3-BENZODIAZOL-5-YL}SULFONYL)AZETIDIN-1-YL]ETHAN-1-OL ASKAT INC. (JP) 2023-10-12 US disclosed
CN-116322672-A Stable salts and crystalline forms of 2- [3- ({ 1- [2- (dimethylamino) ethyl ] -2- (2, 2-dimethylpropyl) -1H-1, 3-benzodiazepine-5-yl } sulfonyl) azetidin-1-yl ] ethan-1-ol 株式会社AskAt 2023-06-23 CN disclosed
CN-115813923-A Compounds for the treatment of neurogenic orthostatic hypotension 施万生物制药研发IP有限责任公司 2023-03-21 CN disclosed
CN-115770244-A Compounds for the treatment of neurogenic orthostatic hypotension 施万生物制药研发IP有限责任公司 2023-03-10 CN 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-12617776-B2 Stable salt and crystal forms of 2-[3-({1-[2-(dimethylamino)ethyl]-2-(2,2-dimethylpropyl)-1H-1,3-benzodiazol-5-yl}sulfonyl)azetidin-1-yl]ethan-1-ol SLC5A1, ASIC1, SCNN1A CA1 303/4885CA2 148/4885CA12 579/4885
US-20230322737-A1 STABLE SALT AND CRYSTAL FORMS OF 2-[3-({1-[2-(DIMETHYLAMINO)ETHYL]-2-(2,2-DIMETHYLPROPYL)-1H-1,3-BENZODIAZOL-5-YL}SULFONYL)AZETIDIN-1-YL]ETHAN-1-OL CNR1, CNR2, TRPV1 CA1 2437/4885CA2 313/4885CA12 2675/4885
US-20240352004-A1 STABLE SALT AND CRYSTAL FORMS OF 2-[3-({1-[2-(DIMETHYLAMINO)ETHYL]-2-(2,2-DIMETHYLPROPYL)-1H-1,3-BENZODIAZOL-5-YL}SULFONYL)AZETIDIN-1-YL]ETHAN-1-OL SLC5A1, CLIC1, SEM1 CA1 705/4885CA2 193/4885CA12 1610/4885

“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.