SCHEMBL19682593

SCHEMBL19682593

C[C@H](c1cccc2c1CCO2)[C@H](N)C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 2/20 0.39
SLC9A5 Q14940 1/20 0.39
SLC9A2 Q9UBY0 1/20 0.39
MTNR1B P49286 13/20 0.39
MTNR1A P48039 11/20 0.39
PTGS1 P23219 1/20 0.35
PTGS2 P35354 1/20 0.35
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35
HTR2B P41595 1/20 0.35
USP9X Q93008 1/20 0.34

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
SCHEMBL20889391 1.00 SLC9A1 (0.39) SLC9A1SLC9A5SLC9A2MTNR1BMTNR1A
SCHEMBL4447693 0.79 HTR2A (0.41) SLC9A1SLC9A5SLC9A2MTNR1BMTNR1A
SCHEMBL24469522 0.79 HTR2A (0.41) SLC9A1SLC9A5SLC9A2MTNR1BMTNR1A
SCHEMBL29793765 0.79 HTR2A (0.41) SLC9A1SLC9A5SLC9A2MTNR1BMTNR1A
SCHEMBL25108307 0.78 USP9X (0.43) SLC9A1SLC9A5SLC9A2MTNR1BMTNR1A
SCHEMBL19682594 0.78 PARP1 (0.50) USP9X
SCHEMBL20889270 0.78 PARP1 (0.50) USP9X
Hydrochloric Acid SCHEMBL22836840 0.77 ALDH1A1 (0.41) SLC9A1SLC9A5SLC9A2MTNR1BMTNR1A
Hydrochloric Acid SCHEMBL22836841 0.77 ALDH1A1 (0.41) SLC9A1SLC9A5SLC9A2MTNR1BMTNR1A
Hydrochloric Acid SCHEMBL29042936 0.77 ALDH1A1 (0.41) SLC9A1SLC9A5SLC9A2MTNR1BMTNR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10889555-B2 Sulfonamide compound or salt thereof TAIHO PHARMACEUTICAL CO., LTD. (JP) 2021-01-12 US disclosed
US-20200405697-A1 Antitumor Agent TAIHO PHARMACEUTICAL CO., LTD. (JP) 2020-12-31 US disclosed
US-20200399235-A1 Sulfonamide Compound or Salt Thereof TAIHO PHARMACEUTICAL CO., LTD. (JP) 2020-12-24 US disclosed
EP-3718545-A1 ANTITUMOR AGENT Taiho Pharmaceutical Co., Ltd. (JP) 2020-10-07 EP disclosed
US-20200157066-A1 Sulfonamide Compound or Salt Thereof TAIHO PHARMACEUTICAL CO., LTD. (JP) 2020-05-21 US disclosed
EP-3466934-A1 SULFONAMIDE COMPOUND OR SALT THEREOF Taiho Pharmaceutical Co., Ltd. (JP) 2019-04-10 EP disclosed
WO-2017209155-A1 SULFONAMIDE COMPOUND OR SALT THEREOF 大鵬薬品工業株式会社 2017-12-07 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 (4 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-20200399235-A1 Sulfonamide Compound or Salt Thereof RNASEH1, SNRPA1, RRM2 SLC9A1 1157/4885SLC9A5 1508/4885SLC9A2 1477/4885
US-20200157066-A1 Sulfonamide Compound or Salt Thereof RNASEH1, SNRPA1, RRM2 SLC9A1 1157/4885SLC9A5 1508/4885SLC9A2 1477/4885
US-10889555-B2 Sulfonamide compound or salt thereof RNASEH1, SNRPA1, RRM2 SLC9A1 1157/4885SLC9A5 1508/4885SLC9A2 1477/4885
US-20200405697-A1 Antitumor Agent HNRNPR, RRM2, RRM2B SLC9A1 1263/4885SLC9A5 1914/4885SLC9A2 1711/4885

“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.