SCHEMBL21766045

SCHEMBL21766045

CCc1ccc(CNC(=O)C2CCN(S(=O)(=O)c3cc(C)cc(Br)c3)CC2)nc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.54
MEN1 O00255 3/20 0.52
GAA P10253 2/20 0.51
TP53 P04637 1/20 0.50
CYP3A4 P08684 2/20 0.49
SLC13A5 Q86YT5 2/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
TSHR P16473 2/20 0.49
USP2 O75604 1/20 0.49
ALOX15 P16050 1/20 0.49
MAPK1 P28482 1/20 0.49
HSD17B10 Q99714 1/20 0.49
EPHX2 P34913 3/20 0.49
PKM P14618 3/20 0.48
APOBEC3A P31941 1/20 0.48
APOBEC3G Q9HC16 1/20 0.48
ALDH1A1 P00352 2/20 0.47
POLB P06746 1/20 0.47

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
SCHEMBL21766078 0.95 KMT2A (0.58) KMT2AMEN1GAATP53CYP3A4
SCHEMBL21766075 0.89 TP53 (0.55) KMT2AMEN1GAATP53CYP3A4
SCHEMBL21766023 0.85 SLC13A5 (0.68) KMT2AMEN1GAASLC13A5TSHR
SCHEMBL20258762 0.85 KMT2A (0.76) KMT2AMEN1GAATSHRUSP2
SCHEMBL20258828 0.82 KMT2A (0.60) KMT2AMEN1GAATP53SLC13A5
SCHEMBL20258803 0.81 MAPT (0.41) KMT2AMEN1TP53CYP3A4TSHR
SCHEMBL21766083 0.80 CYP2C9 (0.76) KMT2AMEN1CYP3A4CYP2D6CYP2C9
SCHEMBL21766082 0.80 TP53 (0.66) KMT2AMEN1TP53CYP3A4SLC13A5
SCHEMBL21766069 0.78 SLC13A5 (0.65) KMT2AMEN1GAASLC13A5TSHR
SCHEMBL21765924 0.78 SLC13A5 (0.65) KMT2AMEN1GAATP53CYP3A4

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 2 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
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 KMT2A 3613/4885MEN1 2286/4885GAA 102/4885
US-10793522-B2 Sulfonamides as inhibitors of the uptake of extracellular citrate CS, GLS, GLS2 KMT2A 3613/4885MEN1 2286/4885GAA 102/4885

“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.