SCHEMBL21766076

SCHEMBL21766076

CCOc1cc(Cl)cc(S(=O)(=O)N2CCC(C(=O)NCc3nccs3)CC2)c1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC13A5 Q86YT5 2/20 0.54
KMT2A Q03164 7/20 0.52
MEN1 O00255 5/20 0.51
NPC1 O15118 3/20 0.51
RAB9A P51151 1/20 0.50
PKM P14618 2/20 0.49
ALDH1A1 P00352 1/20 0.49
ACKR3 P25106 1/20 0.47
LMNA P02545 2/20 0.47
TP53 P04637 1/20 0.47
GAA P10253 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
RECQL P46063 1/20 0.46
ATM Q13315 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
SCHEMBL21766065 0.91 SLC13A5 (0.64) SLC13A5KMT2AMEN1NPC1RAB9A
SCHEMBL21765927 0.85 GAA (0.67) SLC13A5KMT2AMEN1NPC1PKM
SCHEMBL21766091 0.84 SLC13A5 (0.59) SLC13A5KMT2AMEN1NPC1PKM
SCHEMBL21766081 0.82 SLC13A5 (0.61) SLC13A5KMT2AMEN1NPC1PKM
SCHEMBL20258790 0.81 ACKR3 (0.48) KMT2AMEN1NPC1ALDH1A1ACKR3
SCHEMBL21765929 0.81 SLC13A5 (0.79) SLC13A5KMT2APKMALDH1A1LMNA
SCHEMBL21766044 0.79 SLC13A5 (0.65) SLC13A5KMT2AMEN1NPC1PKM
SCHEMBL21766054 0.78 SLC13A5 (0.62) SLC13A5KMT2APKMALDH1A1GAA
SCHEMBL21766085 0.77 SLC13A5 (0.63) SLC13A5KMT2AMEN1PKMALDH1A1
SCHEMBL21766036 0.77 SLC13A5 (0.54) SLC13A5KMT2AMEN1PKMALDH1A1

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 261/4885KMT2A 3613/4885MEN1 2286/4885
US-10793522-B2 Sulfonamides as inhibitors of the uptake of extracellular citrate CS, GLS, GLS2 SLC13A5 261/4885KMT2A 3613/4885MEN1 2286/4885

“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.