SCHEMBL21111525

SCHEMBL21111525

O=C(O)CCCCCCCCCCN1C(=O)C(Br)=C(Br)C1=O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 4/20 0.59
PTGS2 P35354 4/20 0.59
SMN1; SMN2 Q16637 2/20 0.53
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
GAA P10253 2/20 0.49
LMNA P02545 2/20 0.46
TSHR P16473 1/20 0.46
NFKB1 P19838 1/20 0.46
PMP22 Q01453 1/20 0.46
ALDH1A1 P00352 1/20 0.46
PKM P14618 1/20 0.46
HDAC8 Q9BY41 3/20 0.45
HDAC3 O15379 2/20 0.45
HDAC4 P56524 2/20 0.45
HDAC1 Q13547 2/20 0.45
HDAC7 Q8WUI4 2/20 0.45
HDAC2 Q92769 2/20 0.45
HDAC10 Q969S8 2/20 0.45
HDAC11 Q96DB2 2/20 0.45

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
SCHEMBL19281038 1.00 PTGS1 (0.59) PTGS1PTGS2SMN1; SMN2MEN1KMT2A
SCHEMBL19280998 1.00 PTGS1 (0.59) PTGS1PTGS2SMN1; SMN2MEN1KMT2A
SCHEMBL19281093 1.00 PTGS1 (0.59) PTGS1PTGS2SMN1; SMN2MEN1KMT2A
SCHEMBL19281078 1.00 PTGS1 (0.59) PTGS1PTGS2SMN1; SMN2MEN1KMT2A
SCHEMBL19281001 1.00 PTGS1 (0.59) PTGS1PTGS2SMN1; SMN2MEN1KMT2A
SCHEMBL15011303 1.00 PTGS1 (0.59) PTGS1PTGS2SMN1; SMN2MEN1KMT2A
SCHEMBL15415187 0.98 PTGS1 (0.56) PTGS1PTGS2SMN1; SMN2MEN1KMT2A
SCHEMBL23286082 0.92 MEN1 (0.51) PTGS1PTGS2SMN1; SMN2MEN1KMT2A
SCHEMBL26721030 0.88 ALDH1A1 (0.56) PTGS1PTGS2SMN1; SMN2MEN1KMT2A
SCHEMBL19293057 0.86 PTGS1 (0.49) PTGS1PTGS2SMN1; SMN2MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190209704-A1 NOVEL ANTIBODY-DRUG CONJUGATES AND RELATED COMPOUNDS, COMPOSITIONS AND METHODS OF USE SENSEI BIOTHERAPEUTICS, INC. 2019-07-11 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-20190209704-A1 NOVEL ANTIBODY-DRUG CONJUGATES AND RELATED COMPOUNDS, COMPOSITIONS AND METHODS OF USE CYTH3, CD47, FCGRT PTGS1 4655/4885PTGS2 4601/4885SMN1; SMN2 2126/4885

“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.