SCHEMBL21766074

SCHEMBL21766074

O=C(NCc1ccc(Cl)cn1)C1CCN(S(=O)(=O)c2cc(Cl)cc(Cl)c2)CC1

nearest known ligand 0.72

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SLC13A5 Q86YT5 2/20 0.72
RECQL P46063 1/20 0.60
KMT2A Q03164 3/20 0.59
MEN1 O00255 1/20 0.59
GAA P10253 1/20 0.59
ALDH1A1 P00352 3/20 0.57
PKM P14618 2/20 0.56
POLB P06746 1/20 0.55
EPHX2 P34913 3/20 0.52
APOBEC3A P31941 1/20 0.52
APOBEC3G Q9HC16 1/20 0.52

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
SCHEMBL21766069 0.91 SLC13A5 (0.65) SLC13A5RECQLKMT2AMEN1GAA
SCHEMBL21765924 0.91 SLC13A5 (0.65) SLC13A5RECQLKMT2AMEN1GAA
SCHEMBL20258760 0.91 SLC13A5 (0.73) SLC13A5RECQLKMT2AMEN1GAA
SCHEMBL21766091 0.90 SLC13A5 (0.59) SLC13A5RECQLKMT2AMEN1GAA
SCHEMBL21766023 0.89 SLC13A5 (0.68) SLC13A5RECQLKMT2AMEN1GAA
SCHEMBL21766071 0.87 GAA (0.79) SLC13A5RECQLKMT2AMEN1GAA
SCHEMBL20258718 0.84 SLC13A5 (1.00) SLC13A5KMT2AMEN1ALDH1A1PKM
SCHEMBL22423537 0.82 KMT2A (0.66) SLC13A5RECQLKMT2AMEN1GAA
SCHEMBL22423586 0.82 SLC13A5 (0.67) SLC13A5RECQLKMT2AMEN1GAA
SCHEMBL21766052 0.82 SLC13A5 (0.77) SLC13A5KMT2AALDH1A1POLBEPHX2

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 261/4885RECQL 2276/4885KMT2A 3613/4885
US-10793522-B2 Sulfonamides as inhibitors of the uptake of extracellular citrate CS, GLS, GLS2 SLC13A5 261/4885RECQL 2276/4885KMT2A 3613/4885

“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.