SCHEMBL21765928

SCHEMBL21765928

Cc1cc(C)cc(S(=O)(=O)N2CCC(C(=O)NCc3ccc(F)cc3)CC2)c1

nearest known ligand 0.82

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.82
SLC13A5 Q86YT5 2/20 0.77
ALDH1A1 P00352 4/20 0.72
POLB P06746 1/20 0.72
L3MBTL1 Q9Y468 1/20 0.67
LMNA P02545 2/20 0.65
PKM P14618 2/20 0.65
SMN1; SMN2 Q16637 1/20 0.65
CYP3A4 P08684 2/20 0.64
CYP2C9 P11712 2/20 0.64
CYP2C19 P33261 2/20 0.64
MAPT P10636 1/20 0.64
KMT2A Q03164 3/20 0.64
MEN1 O00255 2/20 0.64
EPHX2 P34913 1/20 0.63
GAA P10253 1/20 0.63
NPSR1 Q6W5P4 1/20 0.63

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
SCHEMBL21766082 0.89 TP53 (0.66) TP53SLC13A5ALDH1A1POLBPKM
SCHEMBL21765931 0.89 SLC13A5 (0.82) TP53SLC13A5ALDH1A1POLBMAPT
SCHEMBL21766032 0.87 SLC13A5 (0.77) TP53SLC13A5ALDH1A1POLBL3MBTL1
SCHEMBL20258706 0.87 SLC13A5 (1.00) TP53SLC13A5ALDH1A1POLBL3MBTL1
SCHEMBL21766086 0.86 TP53 (0.62) TP53SLC13A5ALDH1A1POLBPKM
SCHEMBL21766087 0.83 PKM (0.78) TP53L3MBTL1PKMKMT2AEPHX2
SCHEMBL21766068 0.83 SLC13A5 (0.85) TP53SLC13A5ALDH1A1POLBPKM
SCHEMBL21766047 0.82 SLC13A5 (0.82) TP53SLC13A5ALDH1A1POLBL3MBTL1
SCHEMBL21766055 0.81 SLC13A5 (0.76) TP53SLC13A5ALDH1A1POLBPKM
SCHEMBL21765929 0.81 SLC13A5 (0.79) TP53SLC13A5ALDH1A1POLBL3MBTL1

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 TP53 3450/4885SLC13A5 261/4885ALDH1A1 732/4885
US-10793522-B2 Sulfonamides as inhibitors of the uptake of extracellular citrate CS, GLS, GLS2 TP53 3450/4885SLC13A5 261/4885ALDH1A1 732/4885

“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.