SCHEMBL21766044

SCHEMBL21766044

CCOc1cc(Cl)cc(S(=O)(=O)N2CCC(C(=O)NCc3ccc(C#N)cc3)CC2)c1

nearest known ligand 0.65

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC13A5 Q86YT5 2/20 0.65
LMNA P02545 1/20 0.58
TP53 P04637 1/20 0.58
KMT2A Q03164 4/20 0.55
ALDH1A1 P00352 2/20 0.55
POLB P06746 1/20 0.53
PKM P14618 1/20 0.52
MEN1 O00255 2/20 0.51
EPHX2 P34913 1/20 0.51
NPC1 O15118 1/20 0.51
THRB P10828 1/20 0.51
CNR1 P21554 1/20 0.49

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
SCHEMBL20258662 0.89 SLC13A5 (0.80) SLC13A5LMNATP53KMT2AALDH1A1
SCHEMBL21765929 0.89 SLC13A5 (0.79) SLC13A5LMNATP53KMT2AALDH1A1
SCHEMBL21766036 0.89 SLC13A5 (0.54) SLC13A5LMNATP53KMT2AALDH1A1
SCHEMBL21766086 0.82 TP53 (0.62) SLC13A5TP53KMT2AALDH1A1POLB
SCHEMBL21766091 0.81 SLC13A5 (0.59) SLC13A5LMNATP53KMT2AALDH1A1
SCHEMBL21765927 0.80 GAA (0.67) SLC13A5LMNAKMT2AALDH1A1PKM
SCHEMBL21766028 0.80 SLC13A5 (0.61) SLC13A5LMNATP53KMT2AALDH1A1
SCHEMBL21766047 0.80 SLC13A5 (0.82) SLC13A5LMNATP53KMT2AALDH1A1
SCHEMBL20258718 0.79 SLC13A5 (1.00) SLC13A5LMNATP53KMT2AALDH1A1
SCHEMBL21766076 0.79 SLC13A5 (0.54) SLC13A5LMNATP53KMT2AALDH1A1

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 SLC13A5 261/4885LMNA 3878/4885TP53 3450/4885
US-10793522-B2 Sulfonamides as inhibitors of the uptake of extracellular citrate CS, GLS, GLS2 SLC13A5 261/4885LMNA 3878/4885TP53 3450/4885

“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.