SCHEMBL21765929

SCHEMBL21765929

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

nearest known ligand 0.79

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SLC13A5 Q86YT5 2/20 0.79
ALDH1A1 P00352 4/20 0.68
POLB P06746 1/20 0.68
TP53 P04637 3/20 0.63
KMT2A Q03164 2/20 0.61
PKM P14618 3/20 0.59
L3MBTL1 Q9Y468 1/20 0.59
LMNA P02545 3/20 0.58
SMN1; SMN2 Q16637 1/20 0.57

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
SCHEMBL21766047 0.91 SLC13A5 (0.82) SLC13A5ALDH1A1POLBTP53KMT2A
SCHEMBL21766044 0.89 SLC13A5 (0.65) SLC13A5ALDH1A1POLBTP53KMT2A
SCHEMBL20258706 0.89 SLC13A5 (1.00) SLC13A5ALDH1A1POLBTP53KMT2A
SCHEMBL21766081 0.88 SLC13A5 (0.61) SLC13A5ALDH1A1POLBTP53KMT2A
SCHEMBL21766091 0.83 SLC13A5 (0.59) SLC13A5ALDH1A1TP53KMT2APKM
SCHEMBL21766036 0.82 SLC13A5 (0.54) SLC13A5ALDH1A1POLBTP53KMT2A
SCHEMBL21765927 0.82 GAA (0.67) SLC13A5ALDH1A1KMT2APKMLMNA
SCHEMBL20258718 0.81 SLC13A5 (1.00) SLC13A5ALDH1A1POLBTP53KMT2A
SCHEMBL21766076 0.81 SLC13A5 (0.54) SLC13A5ALDH1A1TP53KMT2APKM
SCHEMBL21765928 0.81 TP53 (0.82) SLC13A5ALDH1A1POLBTP53KMT2A

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 261/4885ALDH1A1 732/4885POLB 2442/4885
US-10793522-B2 Sulfonamides as inhibitors of the uptake of extracellular citrate CS, GLS, GLS2 SLC13A5 261/4885ALDH1A1 732/4885POLB 2442/4885

“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.