SCHEMBL21766085

SCHEMBL21766085

Cc1cnc(CNC(=O)C2CCN(S(=O)(=O)c3cc(Cl)cc(Cl)c3)CC2)s1

nearest known ligand 0.63

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SLC13A5 Q86YT5 2/20 0.63
EPHX2 P34913 6/20 0.51
PKM P14618 2/20 0.51
PLA2G1B P04054 1/20 0.51
ATG4B Q9Y4P1 1/20 0.51
ALDH1A1 P00352 3/20 0.50
GAA P10253 2/20 0.49
KMT2A Q03164 2/20 0.49
MEN1 O00255 1/20 0.49
RECQL P46063 1/20 0.48
POLB P06746 1/20 0.48
HTT P42858 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48

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
SCHEMBL21766072 0.90 EPHX2 (0.54) SLC13A5EPHX2PKMPLA2G1BATG4B
SCHEMBL21765924 0.83 SLC13A5 (0.65) SLC13A5EPHX2PKMPLA2G1BATG4B
SCHEMBL21766054 0.83 SLC13A5 (0.62) SLC13A5EPHX2PKMPLA2G1BATG4B
SCHEMBL21766065 0.83 SLC13A5 (0.64) SLC13A5PKMALDH1A1GAAKMT2A
SCHEMBL21766050 0.82 SLC13A5 (0.76) SLC13A5EPHX2ALDH1A1KMT2APOLB
SCHEMBL21766074 0.82 SLC13A5 (0.72) SLC13A5EPHX2PKMALDH1A1GAA
SCHEMBL21766055 0.80 SLC13A5 (0.76) SLC13A5EPHX2PKMPLA2G1BATG4B
SCHEMBL21766068 0.79 SLC13A5 (0.85) SLC13A5EPHX2PKMPLA2G1BATG4B
SCHEMBL21766015 0.79 SLC13A5 (0.65) SLC13A5EPHX2PKMPLA2G1BATG4B
SCHEMBL20258760 0.79 SLC13A5 (0.73) SLC13A5PKMALDH1A1GAAKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10793522-B2 Sulfonamides as inhibitors of the uptake of extracellular citrate BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2020-10-06 US disclosed
EP-3551618-B1 SULFONAMIDES AS INHIBITORS OF THE UPTAKE OF EXTRACELLULAR CITRATE BOEHRINGER INGELHEIM INT (DE) 2020-09-16 EP disclosed
US-20200062708-A1 SULFONAMIDES AS INHIBITORS OF THE UPTAKE OF EXTRACELLULAR CITRATE BOEHRINGER INGELHEIM PHARMA GBMH & CO KG (DE) 2020-02-27 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-20200062708-A1 SULFONAMIDES AS INHIBITORS OF THE UPTAKE OF EXTRACELLULAR CITRATE CS, GLS, GLS2 SLC13A5 261/4885EPHX2 3210/4885PKM 452/4885
US-10793522-B2 Sulfonamides as inhibitors of the uptake of extracellular citrate CS, GLS, GLS2 SLC13A5 261/4885EPHX2 3210/4885PKM 452/4885

“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.