SCHEMBL18138756

SCHEMBL18138756

COc1ccc(N(C)C)cc1C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TUBB1 Q9H4B7 1/20 0.51
ALDH1A1 P00352 6/20 0.50
KDM4E B2RXH2 3/20 0.50
HPGD P15428 2/20 0.50
LCK P06239 1/20 0.49
FYN P06241 1/20 0.49
MAPT P10636 5/20 0.48
LMNA P02545 3/20 0.48
MAPK1 P28482 3/20 0.48
HSD17B10 Q99714 2/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
TSHR P16473 1/20 0.48
CYP2C19 P33261 1/20 0.48
HTT P42858 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
TDP1 Q9NUW8 1/20 0.46
CA12 O43570 1/20 0.46

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
SCHEMBL27908567 0.86 LMNA (0.59) TUBB1ALDH1A1KDM4EHPGDLCK
SCHEMBL9835520 0.83 LCK (0.50) TUBB1ALDH1A1KDM4EHPGDLCK
SCHEMBL17202768 0.82 MEN1 (0.59) TUBB1ALDH1A1KDM4EHPGDMAPT
SCHEMBL10691748 0.81 LMNA (0.51) TUBB1ALDH1A1KDM4EHPGDMAPT
SCHEMBL9312578 0.81 TSHR (0.55) ALDH1A1HPGDMAPTLMNAHSD17B10
SCHEMBL10602299 0.81 TSHR (0.55) ALDH1A1MAPTLMNAHSD17B10MEN1
SCHEMBL8646935 0.79 SLC16A3 (0.51) ALDH1A1KDM4EHPGDMAPTHSD17B10
SCHEMBL3586789 0.78 SLC16A3 (0.47) ALDH1A1KDM4EHPGDLCKFYN
SCHEMBL9312599 0.78 MEN1 (0.69) TUBB1ALDH1A1KDM4EHPGDMAPT
SCHEMBL19874811 0.77 SLC16A3 (0.44) TUBB1ALDH1A1KDM4EHPGDMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3081553-B1 SULFONAMIDE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE ACID ADDITION SALT THEREOF UNIV TSUKUBA (JP) 2018-12-12 EP disclosed
US-9815787-B2 Sulfonamide derivative or pharmaceutically acceptable acid addition salt thereof UNIVERSITY OF TSUKUBA (JP) 2017-11-14 US disclosed
US-20160362376-A1 SULFONAMIDE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE ACID ADDITION SALT THEREOF UNIVERSITY OF TSUKUBA (JP) 2016-12-15 US disclosed
EP-3081553-A1 SULFONAMIDE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE ACID ADDITION SALT THEREOF University of Tsukuba (JP) 2016-10-19 EP disclosed
CN-106029633-A Sulfonamide derivative or pharmaceutically acceptable acid addition salt thereof 国立大学法人筑波大学 2016-10-12 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 (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-20160362376-A1 SULFONAMIDE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE ACID ADDITION SALT THEREOF HCRTR2, HCRTR1, NPSR1 TUBB1 3483/4885ALDH1A1 815/4885KDM4E 1083/4885

“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.