SCHEMBL22675562

SCHEMBL22675562

O=C(CCSCCO)NCNC(=O)CCSCCO

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 3/20 0.46
▸ MAPT P10636 8/20 0.40
▸ ALDH1A1 P00352 6/20 0.40
▸ POLB P06746 3/20 0.40
▸ HSD17B10 Q99714 2/20 0.40
▸ L3MBTL1 Q9Y468 2/20 0.40
▸ TSHR P16473 2/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ PTPN7 P35236 1/20 0.40
▸ GAA P10253 3/20 0.39
▸ LMNA P02545 2/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ PKM P14618 1/20 0.33
▸ APEX1 P27695 1/20 0.33
▸ RECQL P46063 1/20 0.33
▸ G6PD P11413 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
SCHEMBL11255463 0.79 ALDH1A1 (0.43) TDP1MAPTALDH1A1POLBHSD17B10
SCHEMBL28919595 0.77 LMNA (0.60) TDP1MAPTALDH1A1POLBHSD17B10
SCHEMBL11884322 0.75 FAAH (0.47) MAPTPOLBHSD17B10
SCHEMBL11883175 0.72 MAPT (0.41) TDP1MAPTALDH1A1POLBHSD17B10
Hydrochloric Acid SCHEMBL21829144 0.72 NAAA (0.40) POLBTSHRKDM4EHPGDGAA
SCHEMBL3366538 0.70 — —
SCHEMBL11287692 0.70 TDP1 (0.56) TDP1ALDH1A1HSD17B10HPGDGAA
SCHEMBL11597856 0.70 TDP1 (0.56) TDP1ALDH1A1HSD17B10HPGDGAA
SCHEMBL17453246 0.70 TSHR (0.50) TDP1MAPTALDH1A1TSHRKDM4E
SCHEMBL14972375 0.70 NAAA (0.50) TDP1MAPTALDH1A1HPGDKMT2A

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-11358941-B2 — — 2022-06-14 — — US disclosed
US-20200361879-A1 COMPOUNDS HAVING A STABILIZING EFFECT, METHOD FOR PRODUCING SAID COMPOUNDS, COMPOSITION CONTAINING SAID STABILIZING COMPOUNDS, METHOD FOR STABILIZING AN ORGANIC COMPONENT, AND USE OF STABILIZING COMPOUNDS Fraunhofer-Gesellschaft zur Förderung der angewandten Forschung e. V. (DE) 2020-11-19 — — 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-11358941-B2 — OGG1, SOD1, ERCC5 TDP1 319/4885MAPT 117/4885ALDH1A1 250/4885
US-20200361879-A1 COMPOUNDS HAVING A STABILIZING EFFECT, METHOD FOR PRODUCING SAID COMPOUNDS, COMPOSITION CONTAINING SAID STABILIZING COMPOUNDS, METHOD FOR STABILIZING AN ORGANIC COMPONENT, AND USE OF STABILIZING COMPOUNDS OGG1, SOD1, AOX1 TDP1 962/4885MAPT 156/4885ALDH1A1 323/4885

“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.

Send feedback