SCHEMBL21766050

SCHEMBL21766050

Cc1ccc(CNC(=O)C2CCN(S(=O)(=O)c3cc(Cl)cc(Cl)c3)CC2)cn1

nearest known ligand 0.76

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC13A5 Q86YT5 2/20 0.76
ALDH1A1 P00352 2/20 0.60
CYP3A4 P08684 1/20 0.60
CYP2D6 P10635 1/20 0.60
CYP2C9 P11712 1/20 0.60
CYP2C19 P33261 1/20 0.60
EPHX2 P34913 2/20 0.59
POLB P06746 2/20 0.58
TSHR P16473 1/20 0.58
NPC1 O15118 2/20 0.58
TP53 P04637 1/20 0.56
KMT2A Q03164 3/20 0.55
TDP1 Q9NUW8 1/20 0.54

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
SCHEMBL21766052 0.91 SLC13A5 (0.77) SLC13A5ALDH1A1CYP3A4CYP2D6CYP2C9
SCHEMBL21766068 0.88 SLC13A5 (0.85) SLC13A5ALDH1A1CYP3A4CYP2D6CYP2C9
SCHEMBL20258718 0.86 SLC13A5 (1.00) SLC13A5ALDH1A1EPHX2POLBTP53
SCHEMBL21766023 0.85 SLC13A5 (0.68) SLC13A5ALDH1A1EPHX2POLBTSHR
SCHEMBL21766055 0.84 SLC13A5 (0.76) SLC13A5ALDH1A1EPHX2POLBTP53
SCHEMBL21766012 0.83 SLC13A5 (0.85) SLC13A5ALDH1A1EPHX2POLBTSHR
SCHEMBL21800690 0.83 SLC13A5 (0.85) SLC13A5ALDH1A1EPHX2POLBTP53
SCHEMBL20258706 0.83 SLC13A5 (1.00) SLC13A5ALDH1A1CYP3A4CYP2C9CYP2C19
SCHEMBL21765924 0.83 SLC13A5 (0.65) SLC13A5ALDH1A1CYP3A4CYP2D6CYP2C9
SCHEMBL21766085 0.82 SLC13A5 (0.63) SLC13A5ALDH1A1CYP3A4CYP2D6CYP2C9

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 261/4885ALDH1A1 732/4885CYP3A4 1264/4885
US-10793522-B2 Sulfonamides as inhibitors of the uptake of extracellular citrate CS, GLS, GLS2 SLC13A5 261/4885ALDH1A1 732/4885CYP3A4 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.