SCHEMBL20239607

SCHEMBL20239607

COn1cc(-c2ccccc2)c(C(=O)O)n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.40
KDM4E B2RXH2 3/20 0.40
MAPT P10636 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
NPC1 O15118 1/20 0.40
TP53 P04637 1/20 0.40
ALOX15 P16050 1/20 0.40
MAPK1 P28482 1/20 0.40
RAB9A P51151 1/20 0.40
HSD17B10 Q99714 1/20 0.40
LMNA P02545 2/20 0.40
PIN1 Q13526 1/20 0.38
GFER P55789 1/20 0.38
KMT2A Q03164 1/20 0.38
HPGD P15428 2/20 0.38
TSHR P16473 1/20 0.38
NR1H2 P55055 1/20 0.37
NR1H3 Q13133 1/20 0.37
ATM Q13315 2/20 0.37
GABRA1 P14867 1/20 0.37

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
SCHEMBL20239586 0.82 PKM (0.39) ALDH1A1KDM4EMAPTSMN1; SMN2TP53
SCHEMBL2817067 0.79 HCRTR1 (0.42) ALDH1A1KDM4ESMN1; SMN2LMNAPIN1
SCHEMBL28427348 0.78 HCRTR1 (0.42) ALDH1A1KDM4ESMN1; SMN2LMNAPIN1
SCHEMBL1738694 0.75 ALDH1A1 (0.46) ALDH1A1KDM4EMAPTSMN1; SMN2NPC1
SCHEMBL6268028 0.75 CYP2C9 (0.54) ALDH1A1KDM4EMAPTSMN1; SMN2NPC1
SCHEMBL31429322 0.72 PTGIR (0.41) ALDH1A1RAB9AL3MBTL1
SCHEMBL20027674 0.71 MAPT (0.51) ALDH1A1KDM4EMAPTSMN1; SMN2NPC1
SCHEMBL20028437 0.70 NPC1 (0.37) ALDH1A1KDM4EMAPTSMN1; SMN2NPC1
SCHEMBL19207019 0.70 SMN1; SMN2 (0.49) SMN1; SMN2TP53RAB9AGFERKMT2A
SCHEMBL19207037 0.69 LMNA (0.51) ALDH1A1KDM4EMAPTSMN1; SMN2NPC1

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 ALDH1A1 665/4885KDM4E 2829/4885MAPT 1091/4885
US-20220251047-A1 HETEROCYCLIC INHIBITORS OF MCT4 SLC16A3, SLC16A1, MCTS1 ALDH1A1 665/4885KDM4E 2829/4885MAPT 1091/4885
US-20180162822-A1 HETEROCYCLIC INHIBITORS OF MCT4 SLC16A3, SLC16A1, MCTS1 ALDH1A1 665/4885KDM4E 2829/4885MAPT 1091/4885

“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.