SCHEMBL4334754

SCHEMBL4334754

COC(=O)[C@H](Cc1cccc(CN)c1)OC(C)C

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 2/20 0.49
TPSAB1 Q15661 3/20 0.46
F10 P00742 5/20 0.43
PRSS1 P07477 4/20 0.43
SLC7A5 Q01650 2/20 0.43
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
F2 P00734 2/20 0.40
FOLH1 Q04609 1/20 0.38
TAAR1 Q96RJ0 2/20 0.38

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
SCHEMBL4334750 1.00 LOXL2 (0.49) LOXL2TPSAB1F10PRSS1SLC7A5
SCHEMBL13810212 0.88 LOXL2 (0.41) LOXL2TPSAB1F10PRSS1SLC7A5
Hydrochloric Acid SCHEMBL4332232 0.86 LOXL2 (0.40) LOXL2TPSAB1F10SLC7A5
SCHEMBL13085584 0.84 NLRP3 (0.46) MEN1KMT2AFOLH1
SCHEMBL5046404 0.82 LOXL2 (0.58) LOXL2TPSAB1F10PRSS1SLC7A5
SCHEMBL4342010 0.78 GLS (0.45) MEN1KMT2A
SCHEMBL4342008 0.78 GLS (0.45) MEN1KMT2A
SCHEMBL13085687 0.77 ACHE (0.40) FOLH1TAAR1
SCHEMBL27592750 0.77 ESR1 (0.42) MEN1KMT2A
SCHEMBL28751620 0.75 LOXL2 (0.39) LOXL2TPSAB1PRSS1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7544835-B2 Carboxylic acid derivative and salt thereof EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-06-09 US disclosed
US-7544835-B2 Carboxylic acid derivative and salt thereof EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-06-09 US disclosed
US-7544835-B2 Carboxylic acid derivative and salt thereof EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-06-09 US disclosed
US-20040102634-A1 Carboxylic acid derivative and salt thereof EISAI R&D MANAGEMENT CO., LTD. (JP) 2004-05-27 US disclosed
EP-1380562-A1 CARBOXYLIC ACID DERIVATIVE AND SALT THEREOF Eisai Co., Ltd. (JP) 2004-01-14 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-20040102634-A1 Carboxylic acid derivative and salt thereof GPR119, IRS1, SLC5A1 LOXL2 2704/4885TPSAB1 2443/4885F10 1304/4885

“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.