SCHEMBL5034460

SCHEMBL5034460

Cc1ccc(Cc2nc(C)c(C(=O)O)s2)cc1

nearest known ligand 0.69

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.69
RAB9A P51151 4/20 0.69
GAA P10253 2/20 0.69
SMN1; SMN2 Q16637 4/20 0.58
NPC1 O15118 3/20 0.54
POLB P06746 1/20 0.54
PTGDR2 Q9Y5Y4 1/20 0.51
ALDH1A1 P00352 5/20 0.50
HSP90AA1 P07900 1/20 0.50
TARBP2 Q15633 1/20 0.48
KMT2A Q03164 1/20 0.48
MAPT P10636 2/20 0.47
TDP1 Q9NUW8 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
KLKB1 P03952 1/20 0.46
SRD5A2 P31213 1/20 0.45
HPGD P15428 2/20 0.45
TSHR P16473 1/20 0.45
NPSR1 Q6W5P4 1/20 0.43

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
SCHEMBL20894092 0.89 SMN1; SMN2 (0.69) KDM4ERAB9AGAASMN1; SMN2NPC1
SCHEMBL14109405 0.88 SMN1; SMN2 (0.55) KDM4ERAB9AGAASMN1; SMN2NPC1
SCHEMBL18320904 0.88 SMN1; SMN2 (0.55) KDM4ERAB9AGAASMN1; SMN2NPC1
SCHEMBL4285011 0.88 RAB9A (0.71) KDM4ERAB9AGAASMN1; SMN2NPC1
SCHEMBL14109180 0.87 TARBP2 (0.54) KDM4ERAB9AGAASMN1; SMN2NPC1
SCHEMBL14109466 0.84 ALDH1A1 (0.56) KDM4ERAB9AGAASMN1; SMN2NPC1
SCHEMBL14108821 0.82 SMN1; SMN2 (0.56) KDM4ERAB9AGAASMN1; SMN2NPC1
SCHEMBL14019450 0.82 CDC7 (0.61) KDM4ERAB9AGAASMN1; SMN2NPC1
SCHEMBL892234 0.82 RAB9A (1.00) KDM4ERAB9AGAASMN1; SMN2NPC1
SCHEMBL14108643 0.81 SMN1; SMN2 (0.51) KDM4ERAB9AGAASMN1; 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2016202935-A1 GLUCOSE TRANSPORT INHIBITORS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-12-22 WO disclosed
US-7371777-B2 Cyclic compound and PPAR agonist EISAI CO., LTD. (JP) 2008-05-13 US disclosed
US-20050014833-A1 Cyclic compound and ppar agonist EISAI R&D MANAGEMENT CO., LTD. (JP) 2005-01-20 US disclosed
EP-1452521-A1 CYCLIC COMPOUND AND PPAR AGONIST Eisai Co., Ltd. (JP) 2004-09-01 EP 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 (1 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-20050014833-A1 Cyclic compound and ppar agonist PPARA, PPARG, PPARD KDM4E 2818/4885RAB9A 3232/4885GAA 4863/4885

“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.