SCHEMBL1713701

SCHEMBL1713701

CC(OS(C)(=O)=O)c1ccc2ccccc2c1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
UGT2B7 P16662 1/20 0.50
AOC3 Q16853 2/20 0.42
MMP9 P14780 1/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
TSHR P16473 1/20 0.41
HIF1A Q16665 1/20 0.41
ADRA2A P08913 2/20 0.40
ADRA2B P18089 2/20 0.40
ADRA2C P18825 2/20 0.40
ATM Q13315 1/20 0.40
AKR1C3 P42330 2/20 0.40
AKR1C2 P52895 2/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA9 Q16790 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
SCHEMBL23256340 0.83 ABCB11 (0.55) CYP1A2TSHRAKR1C3AKR1C2
SCHEMBL23255699 0.83 ABCB11 (0.55) CYP1A2TSHRAKR1C3AKR1C2
SCHEMBL9740034 0.82 UGT2B7 (0.46) UGT2B7AOC3MMP9MEN1KMT2A
SCHEMBL11672373 0.81 UGT2B7 (0.61) UGT2B7AOC3MMP9MEN1KMT2A
SCHEMBL4731012 0.79 UGT2B7 (0.42) UGT2B7AOC3MMP9MEN1KMT2A
SCHEMBL1702036 0.79 AKR1C3 (0.47) UGT2B7AOC3MMP9MEN1KMT2A
SCHEMBL19197974 0.78 UGT2B7 (0.57) UGT2B7MMP9MEN1KMT2ACYP1A2
SCHEMBL8241125 0.77 ALDH1A1 (0.42) KMT2AADRA2AADRA2BADRA2C
SCHEMBL7688541 0.77 ALDH1A1 (0.42) KMT2AADRA2AADRA2BADRA2C
SCHEMBL7055482 0.77 UGT2B7 (0.61) UGT2B7AOC3MMP9MEN1KMT2A

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
CN-102186476-A Tryptophan hydroxylase inhibitors and methods of their use LEXICON PHARMACEUTICALS INC 2011-09-14 CN disclosed
EP-2344160-A1 TRYPTOPHAN HYDROXYLASE INHIBITORS AND METHODS OF THEIR USE Lexicon Pharmaceuticals, Inc. (US) 2011-07-20 EP disclosed
US-20100087433-A1 Methods of inhibiting tryptophan hydroxylase LEXICON PHARMACEUTICALS, INC. 2010-04-08 US disclosed
WO-2010039957-A1 TRYPTOPHAN HYDROXYLASE INHIBITORS AND METHODS OF THEIR USE LEXICON PHARMACEUTICALS, INC. (US) 2010-04-08 WO 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-20100087433-A1 Methods of inhibiting tryptophan hydroxylase TPH1, TPH2, HNMT UGT2B7 1096/4885AOC3 409/4885MMP9 939/4885

“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.