SCHEMBL6813845

SCHEMBL6813845

O=S(=O)(c1ccccc1)N1CCC2CCCCC21

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.60
TSHR P16473 2/20 0.60
KDM4E B2RXH2 1/20 0.49
GAA P10253 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
KMT2A Q03164 2/20 0.47
RAB9A P51151 1/20 0.47
MAPT P10636 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2C19 P33261 1/20 0.47
LMNA P02545 2/20 0.47
PSEN1 P49768 1/20 0.47
PSEN2 P49810 1/20 0.47
APH1B Q8WW43 1/20 0.47
NCSTN Q92542 1/20 0.47
APH1A Q96BI3 1/20 0.47
PSENEN Q9NZ42 1/20 0.47
ACHE P22303 1/20 0.46

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
SCHEMBL13217943 0.91 ALDH1A1 (0.58) ALDH1A1TSHRGAAKMT2AMAPT
SCHEMBL17661784 0.84 ALDH1A1 (0.54) ALDH1A1KDM4EL3MBTL1KMT2ARAB9A
SCHEMBL5915269 0.84 PSEN1 (0.60) ALDH1A1L3MBTL1KMT2AMAPTLMNA
SCHEMBL16221279 0.84 ALDH1A1 (0.54) ALDH1A1KDM4EL3MBTL1KMT2ARAB9A
SCHEMBL17651673 0.84 ALDH1A1 (0.54) ALDH1A1KDM4EL3MBTL1KMT2ARAB9A
SCHEMBL13218033 0.80 PSEN1 (0.56) ALDH1A1L3MBTL1KMT2AMAPTLMNA
SCHEMBL2010052 0.79 KDM4E (0.59) ALDH1A1TSHRKDM4EGAAKMT2A
SCHEMBL13217834 0.78 ALDH1A1 (0.60) ALDH1A1KDM4EL3MBTL1KMT2ARAB9A
SCHEMBL5251498 0.78 PSEN1 (0.64) ALDH1A1KMT2AMAPTLMNAPSEN1
SCHEMBL2019135 0.75 HPGD (0.53) ALDH1A1GAAKMT2AMAPTLMNA

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-20040132809-A1 Cell adhesion inhibitors BIOGEN, INC. 2004-07-08 US claimed

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-20040132809-A1 Cell adhesion inhibitors VCAM1, ICAM1, EPCAM ALDH1A1 631/4885TSHR 1354/4885KDM4E 2712/4885

“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.