SCHEMBL18811277

SCHEMBL18811277

COC(=O)CCCNC(=O)CCSSCC(NC(C)=O)C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FOLH1 Q04609 2/20 0.40
▸ ALB P02768 2/20 0.39
▸ TSHR P16473 2/20 0.36
▸ ITGB1 P05556 2/20 0.36
▸ ITGA4 P13612 2/20 0.36
▸ NOD1 Q9Y239 1/20 0.35
▸ MAPT P10636 2/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ THRB P10828 1/20 0.35
▸ ALOX15 P16050 1/20 0.35
▸ NFKB1 P19838 1/20 0.35
▸ PTGS2 P35354 1/20 0.35
▸ THPO P40225 1/20 0.35
▸ RECQL P46063 1/20 0.35
▸ BLM P54132 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ ALDH1A1 P00352 3/20 0.34
▸ LMNA P02545 1/20 0.34
▸ SRC P12931 1/20 0.34
▸ FNTA P49354 1/20 0.33

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
SCHEMBL23323338 0.84 EPHX2 (0.40) FOLH1ALBITGB1ITGA4SMN1; SMN2
SCHEMBL23552243 0.84 EPHX2 (0.40) FOLH1ALBITGB1ITGA4SMN1; SMN2
SCHEMBL23566950 0.84 EPHX2 (0.40) FOLH1ALBITGB1ITGA4SMN1; SMN2
SCHEMBL23323337 0.84 EPHX2 (0.40) FOLH1ALBITGB1ITGA4SMN1; SMN2
SCHEMBL2754993 0.77 LMNA (0.56) FOLH1ITGB1ITGA4MAPTKDM4E
SCHEMBL25542887 0.76 ALB (0.58) FOLH1ALBNOD1SMN1; SMN2FNTA
SCHEMBL24378366 0.75 MAPT (0.50) FOLH1ITGB1ITGA4MAPTKDM4E
SCHEMBL20830620 0.74 ITGB1 (0.40) TSHRITGB1ITGA4ALDH1A1
SCHEMBL18811280 0.74 TSHR (0.45) TSHRKDM4ERECQLSMN1; SMN2ALDH1A1
SCHEMBL12298114 0.74 ITGB1 (0.50) FOLH1TSHRITGB1ITGA4MAPT

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-20170232120-A1 DENDRIMER COMPOSITIONS AND USE IN TREATMENT OF NEUROLOGICAL AND CNS DISORDERS Ashvattha Therapeutics, Inc. 2017-08-17 — — US disclosed
US-20170119897-A1 DENDRIMER COMPOSITIONS AND USE IN TREATMENT OF NECROTIZING ENTEROCOLITIS AND OTHER GASTROINTESTINAL DISORDERS THE JOHNS HOPKINS UNIVERSITY 2017-05-04 — — 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 (2 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-20170232120-A1 DENDRIMER COMPOSITIONS AND USE IN TREATMENT OF NEUROLOGICAL AND CNS DISORDERS GRM6, TLR3, TLR6 FOLH1 1615/4885ALB 1027/4885TSHR 1714/4885
US-20170119897-A1 DENDRIMER COMPOSITIONS AND USE IN TREATMENT OF NECROTIZING ENTEROCOLITIS AND OTHER GASTROINTESTINAL DISORDERS PAM, TLR9, TLR3 FOLH1 1222/4885ALB 114/4885TSHR 3682/4885

“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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