SCHEMBL21766071

SCHEMBL21766071

O=C(NCc1ccccn1)C1CCN(S(=O)(=O)c2cc(Cl)cc(Cl)c2)CC1

nearest known ligand 0.79

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.79
KMT2A Q03164 2/20 0.79
MEN1 O00255 1/20 0.79
RECQL P46063 1/20 0.75
PKM P14618 2/20 0.69
APOBEC3A P31941 1/20 0.69
APOBEC3G Q9HC16 1/20 0.69
SLC13A5 Q86YT5 2/20 0.67
LMNA P02545 1/20 0.67
MAPT P10636 1/20 0.67
TSHR P16473 2/20 0.67
USP2 O75604 1/20 0.67
ALOX15 P16050 1/20 0.67
MAPK1 P28482 1/20 0.67
HSD17B10 Q99714 1/20 0.67
CNR1 P21554 1/20 0.60
ALDH1A1 P00352 1/20 0.60
SMN1; SMN2 Q16637 1/20 0.60

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
SCHEMBL21800694 0.93 KMT2A (0.76) GAAKMT2AMEN1RECQLPKM
SCHEMBL21800631 0.93 GAA (0.71) GAAKMT2AMEN1RECQLPKM
SCHEMBL21800760 0.91 GAA (0.68) GAAKMT2AMEN1RECQLPKM
SCHEMBL21765927 0.90 GAA (0.67) GAAKMT2AMEN1RECQLPKM
SCHEMBL21800573 0.89 GAA (0.66) GAAKMT2AMEN1RECQLPKM
SCHEMBL21883498 0.88 KMT2A (1.00) GAAKMT2AMEN1RECQLPKM
SCHEMBL20258829 0.88 KMT2A (0.83) GAAKMT2AMEN1RECQLPKM
SCHEMBL21766074 0.87 SLC13A5 (0.72) GAAKMT2AMEN1RECQLPKM
SCHEMBL20511829 0.86 KMT2A (0.77) GAAKMT2AMEN1RECQLPKM
SCHEMBL20509062 0.86 RECQL (0.85) GAAKMT2AMEN1RECQLPKM

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 6 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-20200087258-A1 INHIBITOR OF CITRATE TRANSPORTER AND THEIR USE IN THERAPY ETERNYGEN GMBH (DE) 2020-03-19 US 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
EP-3600288-A1 INHIBITORS OF CITRATE TRANSPORTER AND THEIR USE IN THERAPY Eternygen GmbH (DE) 2020-02-05 EP disclosed
WO-2018172251-A1 INHIBITORS OF CITRATE TRANSPORTER AND THEIR USE IN THERAPY ETERNYGEN GMBH (DE) 2018-09-27 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 (3 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 GAA 102/4885KMT2A 3613/4885MEN1 2286/4885
US-10793522-B2 Sulfonamides as inhibitors of the uptake of extracellular citrate CS, GLS, GLS2 GAA 102/4885KMT2A 3613/4885MEN1 2286/4885
US-20200087258-A1 INHIBITOR OF CITRATE TRANSPORTER AND THEIR USE IN THERAPY CS, SLC2A1, SLC2A2 GAA 108/4885KMT2A 1382/4885MEN1 3535/4885

“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.