SCHEMBL21766065

SCHEMBL21766065

O=C(NCc1nccs1)C1CCN(S(=O)(=O)c2cc(Cl)cc(Cl)c2)CC1

nearest known ligand 0.64

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC13A5 Q86YT5 2/20 0.64
ALDH1A1 P00352 3/20 0.55
PKM P14618 2/20 0.55
KMT2A Q03164 5/20 0.53
MEN1 O00255 4/20 0.53
GAA P10253 2/20 0.53
LMNA P02545 2/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
RECQL P46063 1/20 0.52
ACKR3 P25106 1/20 0.51
MAPT P10636 1/20 0.49
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
ATM Q13315 1/20 0.49
POLB P06746 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
SCHEMBL21766076 0.91 SLC13A5 (0.54) SLC13A5ALDH1A1PKMKMT2AMEN1
SCHEMBL21766054 0.84 SLC13A5 (0.62) SLC13A5ALDH1A1PKMKMT2AGAA
SCHEMBL21766085 0.83 SLC13A5 (0.63) SLC13A5ALDH1A1PKMKMT2AMEN1
SCHEMBL21766071 0.82 GAA (0.79) SLC13A5ALDH1A1PKMKMT2AMEN1
SCHEMBL21766074 0.80 SLC13A5 (0.72) SLC13A5ALDH1A1PKMKMT2AMEN1
SCHEMBL20258718 0.78 SLC13A5 (1.00) SLC13A5ALDH1A1PKMKMT2AMEN1
SCHEMBL21766069 0.78 SLC13A5 (0.65) SLC13A5ALDH1A1PKMKMT2AMEN1
SCHEMBL21765924 0.78 SLC13A5 (0.65) SLC13A5ALDH1A1PKMKMT2AMEN1
SCHEMBL20258760 0.78 SLC13A5 (0.73) SLC13A5ALDH1A1PKMKMT2AMEN1
SCHEMBL21766052 0.78 SLC13A5 (0.77) SLC13A5ALDH1A1KMT2ANPC1POLB

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 732/4885PKM 452/4885
US-10793522-B2 Sulfonamides as inhibitors of the uptake of extracellular citrate CS, GLS, GLS2 SLC13A5 261/4885ALDH1A1 732/4885PKM 452/4885

“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.