SCHEMBL19328342

SCHEMBL19328342

Cc1ccc(C(=O)C(Br)CC(=O)O)cc1C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.46
CES1 P23141 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.42
HTT P42858 1/20 0.42
ALDH1A1 P00352 4/20 0.41
NR1H4 Q96RI1 1/20 0.41
TAS1R3 Q7RTX0 2/20 0.40
TAS1R1 Q7RTX1 2/20 0.40
NPSR1 Q6W5P4 1/20 0.40
GRIK2 Q13002 1/20 0.39
LMNA P02545 2/20 0.38
MAPK1 P28482 1/20 0.38
NPC1 O15118 1/20 0.38
MITF O75030 1/20 0.38
POLB P06746 1/20 0.38
PRSS1 P07477 1/20 0.38
PRSS2 P07478 1/20 0.38
PRSS3 P35030 1/20 0.38
MAPT P10636 1/20 0.37
TDP1 Q9NUW8 1/20 0.37

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
SCHEMBL1023704 0.83 TAS1R3 (0.49) CES2CES1SMN1; SMN2HTTALDH1A1
SCHEMBL19328352 0.81 KMT2A (0.47) CES2CES1SMN1; SMN2ALDH1A1LMNA
SCHEMBL6391071 0.78 TAS1R3 (0.48) CES2CES1SMN1; SMN2HTTALDH1A1
SCHEMBL10026169 0.77 ALDH1A1 (0.49) CES2CES1SMN1; SMN2HTTALDH1A1
SCHEMBL19328345 0.77 TSHR (0.52) SLC6A2SLC6A4SLC6A3
SCHEMBL5060468 0.77 CES2 (0.50) CES2CES1SMN1; SMN2TAS1R3TAS1R1
SCHEMBL19328370 0.75 HSD11B1 (0.42) SMN1; SMN2HTTTAS1R3TAS1R1LMNA
SCHEMBL19328379 0.75 CES2 (0.45) CES2CES1SLC6A2SLC6A4SLC6A3
SCHEMBL30859400 0.75 LCK (0.47) CES2CES1SMN1; SMN2HTTALDH1A1
SCHEMBL5054802 0.74 ALKBH5 (0.47) CES2CES1SMN1; SMN2HTTALDH1A1

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-10080757-B2 Inhibitors of UDP-galactopyranose mutase WISCONSIN ALUMNI RESEARCH FOUNDATION 2018-09-25 US disclosed
US-20170258805-A1 INHIBITORS OF UDP-GALACTOPYRANOSE MUTASE WISCONSIN ALUMNI RESEARCH FOUNDATION 2017-09-14 US disclosed
US-20170258805-A1 INHIBITORS OF UDP-GALACTOPYRANOSE MUTASE WISCONSIN ALUMNI RESEARCH FOUNDATION 2017-09-14 US disclosed
US-20170258805-A1 INHIBITORS OF UDP-GALACTOPYRANOSE MUTASE WISCONSIN ALUMNI RESEARCH FOUNDATION 2017-09-14 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-20170258805-A1 INHIBITORS OF UDP-GALACTOPYRANOSE MUTASE UGDH, GALE, UGGT1 CES2 3013/4885CES1 996/4885SMN1; SMN2 3230/4885
US-10080757-B2 Inhibitors of UDP-galactopyranose mutase UGDH, GALE, UGGT1 CES2 3013/4885CES1 996/4885SMN1; SMN2 3230/4885

“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.