SCHEMBL23901494

SCHEMBL23901494

CC(C)NC(CCCNC(=O)OCc1ccccc1)C(=O)OCc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 1/20 0.58
▸ FOLH1 Q04609 3/20 0.56
▸ LMNA P02545 1/20 0.53
▸ SMN1; SMN2 Q16637 1/20 0.53
▸ MMP2 P08253 2/20 0.53
▸ MMP9 P14780 2/20 0.53
▸ TGM2 P21980 1/20 0.52
▸ CPB1 P15086 1/20 0.52
▸ CPB2 Q96IY4 1/20 0.52
▸ KEAP1 Q14145 2/20 0.51
▸ NFE2L2 Q16236 2/20 0.51
▸ CA1 P00915 1/20 0.50
▸ CA2 P00918 1/20 0.50
▸ SLC1A3 P43003 1/20 0.49
▸ SLC1A1 P43005 1/20 0.49

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
SCHEMBL25453638 0.90 CA1 (0.61) HTTFOLH1MMP2MMP9TGM2
SCHEMBL25455599 0.87 HTT (0.60) HTTFOLH1LMNASMN1; SMN2MMP2
SCHEMBL9810168 0.85 FOLH1 (0.53) HTTFOLH1LMNASMN1; SMN2MMP2
SCHEMBL9810164 0.85 FOLH1 (0.53) HTTFOLH1LMNASMN1; SMN2MMP2
SCHEMBL10032568 0.84 HTT (0.67) HTTFOLH1LMNASMN1; SMN2TGM2
Ammonia Solution, Strong SCHEMBL8060380 0.83 HTT (0.65) HTTFOLH1LMNASMN1; SMN2TGM2
SCHEMBL30689097 0.82 FOLH1 (0.64) HTTFOLH1LMNASMN1; SMN2MMP2
SCHEMBL17995299 0.82 FOLH1 (0.64) HTTFOLH1LMNASMN1; SMN2MMP2
SCHEMBL7390273 0.82 FOLH1 (0.58) HTTFOLH1MMP2MMP9TGM2
SCHEMBL8437001 0.82 HTT (0.63) HTTFOLH1LMNASMN1; SMN2MMP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230143470-A1 SMALL MOLECULE INHIBITORS OF INFLUENZA HEMAGGLUTININ NATIONAL INSTITUTES OF HEALTH 2023-05-11 — — US disclosed
WO-2021202600-A1 SMALL MOLECULE INHIBITORS OF INFLUENZA HEMAGGLUTININ THE SCRIPPS RESEARCH INSTITUTE (US) 2021-10-07 — — WO 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-20230143470-A1 SMALL MOLECULE INHIBITORS OF INFLUENZA HEMAGGLUTININ HAVCR2, CD44, ENGASE HTT 1336/4885FOLH1 2246/4885LMNA 2333/4885

“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.

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