SCHEMBL20239586

SCHEMBL20239586

CCCOn1cc(-c2ccccc2)c(C(=O)O)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 2/20 0.39
KDM4E B2RXH2 4/20 0.37
LMNA P02545 2/20 0.36
ELANE P08246 1/20 0.36
GFER P55789 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
MAPT P10636 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
TSHR P16473 1/20 0.36
GABRA2 P47869 1/20 0.36
GABRB2 P47870 1/20 0.36
TP53 P04637 1/20 0.36
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
GAA P10253 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
HPGD P15428 1/20 0.35

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
SCHEMBL20239607 0.82 ALDH1A1 (0.40) KDM4ELMNAGFERMAPTTSHR
SCHEMBL1738694 0.75 ALDH1A1 (0.46) PKMKDM4ELMNAGFERMAPT
SCHEMBL2817067 0.72 HCRTR1 (0.42) KDM4ELMNATSHRALDH1A1HPGD
SCHEMBL28427348 0.71 HCRTR1 (0.42) KDM4ELMNATSHRALDH1A1HPGD
SCHEMBL20028437 0.69 NPC1 (0.37) KDM4EGFERHDAC8MAPTTP53
SCHEMBL31429322 0.69 PTGIR (0.41) HDAC8ALDH1A1GAAPDE10A
SCHEMBL6268028 0.68 CYP2C9 (0.54) KDM4ELMNAMAPTNPSR1TSHR
SCHEMBL9587543 0.65 JMJD6 (0.59) KDM4EELANEMAPTTSHRGABRA2
SCHEMBL6071443 0.64 LMNA (0.35) LMNAALDH1A1
SCHEMBL1739352 0.64 ALDH1A1 (0.55) KDM4ELMNAELANEMAPTNPSR1

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-20220251047-A1 HETEROCYCLIC INHIBITORS OF MCT4 Vettore, LLC 2022-08-11 US disclosed
US-20190112275-A1 HETEROCYCLIC INHIBITORS OF MCT4 Vettore, LLC 2019-04-18 US disclosed
US-20180162822-A1 HETEROCYCLIC INHIBITORS OF MCT4 Vettore, LLC 2018-06-14 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 (3 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-20190112275-A1 HETEROCYCLIC INHIBITORS OF MCT4 SLC16A3, SLC16A1, MCTS1 PKM 2086/4885KDM4E 2829/4885LMNA 3753/4885
US-20220251047-A1 HETEROCYCLIC INHIBITORS OF MCT4 SLC16A3, SLC16A1, MCTS1 PKM 2086/4885KDM4E 2829/4885LMNA 3753/4885
US-20180162822-A1 HETEROCYCLIC INHIBITORS OF MCT4 SLC16A3, SLC16A1, MCTS1 PKM 2086/4885KDM4E 2829/4885LMNA 3753/4885

“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.