SCHEMBL23217199

SCHEMBL23217199

Cc1ccc(S(=O)(=O)N2CCCNCCC2)cc1

nearest known ligand 0.74

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PKM P14618 4/20 0.74
ALDH1A1 P00352 4/20 0.74
HTT P42858 3/20 0.74
POLB P06746 1/20 0.74
LMNA P02545 3/20 0.67
KMT2A Q03164 4/20 0.66
MEN1 O00255 3/20 0.66
SMN1; SMN2 Q16637 2/20 0.66
HSD17B10 Q99714 1/20 0.59
USP2 O75604 1/20 0.58
GAA P10253 1/20 0.57
TDP1 Q9NUW8 1/20 0.56
MAPT P10636 1/20 0.56
KDM4E B2RXH2 1/20 0.55

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
Bromide SCHEMBL1159786 0.98 PKM (0.72) PKMALDH1A1HTTPOLBLMNA
SCHEMBL1956663 0.97 ALDH1A1 (0.70) PKMALDH1A1HTTPOLBLMNA
SCHEMBL3111901 0.94 ALDH1A1 (0.76) PKMALDH1A1HTTPOLBLMNA
Aziridine SCHEMBL22778235 0.93 KMT2A (0.76) PKMALDH1A1HTTPOLBLMNA
SCHEMBL1259378 0.92 PKM (0.69) PKMALDH1A1HTTPOLBLMNA
SCHEMBL3976265 0.92 PKM (0.69) PKMALDH1A1HTTPOLBLMNA
SCHEMBL651924 0.89 MAPT (0.69) PKMALDH1A1HTTPOLBLMNA
SCHEMBL5955341 0.89 MAPT (0.69) PKMALDH1A1HTTPOLBLMNA
SCHEMBL9122576 0.89 MAPT (0.69) PKMALDH1A1HTTPOLBLMNA
SCHEMBL4109280 0.88 CD4 (0.60) PKMALDH1A1HTTPOLBLMNA

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
CN-111170953-A Process for preparing diazacyclooctane intermediates and diazacyclooctanes 郑州手性药物研究院有限公司 2020-05-19 CN claimed
US-20240124400-A1 LPXH TARGETING COMPOUNDS, COMPOSITIONS THEREOF, AND METHODS OF MAKING AND USING THE SAME DUKE UNIVERSITY (US) 2024-04-18 US disclosed
WO-2021072369-A1 LPXH TARGETING COMPOUNDS, COMPOSITIONS THEREOF, AND METHODS OF MAKING AND USING THE SAME DUKE UNIVERSITY (US) 2021-04-15 WO disclosed
CN-111170953-A Process for preparing diazacyclooctane intermediates and diazacyclooctanes 郑州手性药物研究院有限公司 2020-05-19 CN disclosed
CN-111170953-A Process for preparing diazacyclooctane intermediates and diazacyclooctanes 郑州手性药物研究院有限公司 2020-05-19 CN 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-20240124400-A1 LPXH TARGETING COMPOUNDS, COMPOSITIONS THEREOF, AND METHODS OF MAKING AND USING THE SAME CFH, LPAR3, CBR3 PKM 4576/4885ALDH1A1 3931/4885HTT 2865/4885

“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.