SCHEMBL29883142

SCHEMBL29883142

C/C(N)=C/C(=O)OCc1ccc(C#N)cc1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.45
RAB9A P51151 2/20 0.45
GAA P10253 1/20 0.43
TDP1 Q9NUW8 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
NPC1 O15118 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
ALDH1A1 P00352 1/20 0.40
MAPT P10636 1/20 0.40
IDO1 P14902 1/20 0.40
CYP2A6 P11509 1/20 0.40
LOXL2 Q9Y4K0 1/20 0.40
KCNH2 Q12809 1/20 0.39
NOS3 P29474 1/20 0.39
NOS1 P29475 1/20 0.39
PARP15 Q460N3 1/20 0.39
PARP10 Q53GL7 1/20 0.39
PARP2 Q9UGN5 1/20 0.39

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
SCHEMBL29882999 0.83 FFAR1 (0.46) KCNH2
SCHEMBL11485446 0.81 PARP10 (0.46) RAB9ATDP1L3MBTL1NPC1ALDH1A1
SCHEMBL29883018 0.80 KDM4E (0.46) RAB9AL3MBTL1NPC1SMN1; SMN2MAPT
SCHEMBL11488122 0.80 NPSR1 (0.47) RAB9AGAAL3MBTL1ALDH1A1MAPT
SCHEMBL29883060 0.80 KMT2A (0.47) TDP1L3MBTL1SMN1; SMN2ALDH1A1MAPT
SCHEMBL22548286 0.80 ALDH1A1 (0.59) TDP1L3MBTL1ALDH1A1
SCHEMBL362583 0.80 ALDH1A1 (0.59) TDP1L3MBTL1ALDH1A1
SCHEMBL5413499 0.80 ALDH1A1 (0.59) TDP1L3MBTL1ALDH1A1
SCHEMBL114536 0.79 GAA (0.54) TSHRRAB9AGAATDP1IDO1
SCHEMBL2659564 0.79 ALDH1A1 (0.58) TSHRRAB9AGAATDP1L3MBTL1

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
EP-3707143-B9 NEW ANALOGS AS ANDROGEN RECEPTOR AND GLUCOCORTICOID RECEPTOR MODULATORS ONCOSTELLAE S L (ES) 2023-04-12 EP disclosed
EP-3707143-B1 NEW ANALOGS AS ANDROGEN RECEPTOR AND GLUCOCORTICOID RECEPTOR MODULATORS ONCOSTELLAE S L (ES) 2022-12-28 EP disclosed
US-11453660-B2 Androgen receptor and glucocorticoid receptor modulators ONCOSTELLAE, S.L. 2022-09-27 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 (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-11453660-B2 Androgen receptor and glucocorticoid receptor modulators AR, NR5A1, NR3C1 TSHR 246/4885RAB9A 3546/4885GAA 3692/4885

“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.