SCHEMBL21766083

SCHEMBL21766083

Cc1cc(Br)cc(S(=O)(=O)N2CCC(C(=O)NCc3cccnc3)CC2)c1

nearest known ligand 0.76

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 2/20 0.76
CYP2C19 P33261 2/20 0.76
CYP3A4 P08684 1/20 0.76
CYP2D6 P10635 1/20 0.76
TSHR P16473 3/20 0.72
NPC1 O15118 2/20 0.67
KMT2A Q03164 4/20 0.67
TDP1 Q9NUW8 1/20 0.67
ALDH1A1 P00352 3/20 0.66
POLB P06746 1/20 0.65
LMNA P02545 3/20 0.62
MEN1 O00255 1/20 0.62
MAPK1 P28482 1/20 0.62
MAPT P10636 1/20 0.61
USP2 O75604 1/20 0.60
NPSR1 Q6W5P4 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
SCHEMBL20258826 0.93 TSHR (0.79) CYP2C9CYP2C19CYP3A4CYP2D6TSHR
SCHEMBL20258762 0.83 KMT2A (0.76) TSHRKMT2AALDH1A1LMNAMEN1
SCHEMBL21765932 0.82 GAA (0.53) CYP2C9CYP2C19CYP3A4CYP2D6TSHR
SCHEMBL21766082 0.81 TP53 (0.66) CYP3A4TSHRKMT2AALDH1A1POLB
SCHEMBL21766045 0.80 KMT2A (0.54) CYP2C9CYP2C19CYP3A4CYP2D6TSHR
SCHEMBL21766075 0.79 TP53 (0.55) CYP2C9CYP2C19CYP3A4CYP2D6TSHR
SCHEMBL20258827 0.78 SLC13A5 (0.69) TSHRKMT2AALDH1A1POLBLMNA
SCHEMBL20258831 0.76 KMT2A (0.56) CYP2C19TSHRNPC1KMT2ATDP1
SCHEMBL13621146 0.76 ALDH1A1 (0.74) CYP2C9CYP2C19CYP3A4CYP2D6TSHR
SCHEMBL21765928 0.76 TP53 (0.82) CYP2C9CYP2C19CYP3A4KMT2AALDH1A1

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 CYP2C9 950/4885CYP2C19 978/4885CYP3A4 1264/4885
US-10793522-B2 Sulfonamides as inhibitors of the uptake of extracellular citrate CS, GLS, GLS2 CYP2C9 950/4885CYP2C19 978/4885CYP3A4 1264/4885

“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.