SCHEMBL1224944

SCHEMBL1224944

O=C(O)c1cc(O)c(O)c(S(=O)(=O)O)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.61
CA12 O43570 4/20 0.61
CA1 P00915 4/20 0.61
CA2 P00918 4/20 0.61
CA7 P43166 4/20 0.61
CA9 Q16790 4/20 0.61
CA14 Q9ULX7 4/20 0.61
TDP1 Q9NUW8 3/20 0.61
HSD17B10 Q99714 3/20 0.61
MAPT P10636 3/20 0.61
CA4 P22748 3/20 0.61
CA6 P23280 3/20 0.61
KDM4E B2RXH2 3/20 0.61
HPGD P15428 3/20 0.61
MAPK1 P28482 2/20 0.61
CA3 P07451 2/20 0.61
CA5A P35218 2/20 0.61
CA5B Q9Y2D0 2/20 0.61
LMNA P02545 1/20 0.61
TP53 P04637 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
Gallic Acid SCHEMBL5265913 0.83 CA12 (0.81) ALDH1A1CA12CA1CA2CA7
SCHEMBL25282372 0.82 HSD17B10 (0.66) ALDH1A1CA12CA1CA2CA7
Gallic Acid SCHEMBL28335522 0.79 CA12 (0.74) ALDH1A1CA12CA1CA2CA7
Gallic Acid SCHEMBL27992232 0.79 CA12 (0.74) ALDH1A1CA12CA1CA2CA7
Gallic Acid SCHEMBL28711492 0.79 KDM4E (0.74) ALDH1A1CA12CA1CA2CA7
SCHEMBL9756720 0.78 ALDH1A1 (0.67) ALDH1A1CA12CA1CA2CA7
Gallic Acid SCHEMBL678990 0.78 CA12 (1.00) ALDH1A1CA12CA1CA2CA7
Gallic Acid SCHEMBL4918056 0.78 CA12 (1.00) ALDH1A1CA12CA1CA2CA7
Gallic Acid SCHEMBL1845406 0.78 CA12 (1.00) ALDH1A1CA12CA1CA2CA7
Gallic Acid SCHEMBL29484566 0.78 CA12 (1.00) ALDH1A1CA12CA1CA2CA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8492581-B2 Sulfonation of polyhydroxyaromatics Amyris, Inc. (US) 2013-07-23 US claimed
WO-2011022588-A1 SULFONATION OF POLYHYDROXYAROMATICS DRATHS CORPORATION (US) 2011-02-24 WO claimed
US-20110046412-A1 Sulfonation of Polyhydroxyaromatics DRATHS CORPORATION (US) 2011-02-24 US claimed
EP-0438752-A1 Monobactam hydrazides containing catechol sulfonic acid groups E.R. SQUIBB & SONS, INC. (US) 1991-07-31 EP claimed
US-5030724-A Monobactam hydrazides containing catechol sulfonic acid groups E. R. SQUIBB & SONS, INC. (US) 1991-07-09 US claimed
US-8492581-B2 Sulfonation of polyhydroxyaromatics Amyris, Inc. (US) 2013-07-23 US disclosed
US-8492581-B2 Sulfonation of polyhydroxyaromatics Amyris, Inc. (US) 2013-07-23 US disclosed
WO-2011022588-A1 SULFONATION OF POLYHYDROXYAROMATICS DRATHS CORPORATION (US) 2011-02-24 WO disclosed
WO-2011022588-A1 SULFONATION OF POLYHYDROXYAROMATICS DRATHS CORPORATION (US) 2011-02-24 WO disclosed
US-20110046412-A1 Sulfonation of Polyhydroxyaromatics DRATHS CORPORATION (US) 2011-02-24 US disclosed
US-20110046412-A1 Sulfonation of Polyhydroxyaromatics DRATHS CORPORATION (US) 2011-02-24 US disclosed
US-5077432-A Monobactam hydrazides containing catechol sulfonic acid groups E. R. SQUIBB & SONS, INC. (US) 1991-12-31 US disclosed
EP-0438752-A1 Monobactam hydrazides containing catechol sulfonic acid groups E.R. SQUIBB & SONS, INC. (US) 1991-07-31 EP disclosed
US-5030724-A Monobactam hydrazides containing catechol sulfonic acid groups E. R. SQUIBB & SONS, INC. (US) 1991-07-09 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 (1 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-20110046412-A1 Sulfonation of Polyhydroxyaromatics HPD, STS, PGD ALDH1A1 373/4885CA12 1237/4885CA1 1344/4885

“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.