SCHEMBL17633971

SCHEMBL17633971

O=C(O)N(CCS)CCNCCS

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
REN P00797 2/20 0.39
ESR1 P03372 1/20 0.32
HDAC3 O15379 2/20 0.31
HDAC4 P56524 2/20 0.31
HDAC1 Q13547 2/20 0.31
HDAC7 Q8WUI4 2/20 0.31
HDAC2 Q92769 2/20 0.31
HDAC10 Q969S8 2/20 0.31
HDAC11 Q96DB2 2/20 0.31
HDAC8 Q9BY41 2/20 0.31
HDAC6 Q9UBN7 2/20 0.31
HDAC9 Q9UKV0 2/20 0.31
HDAC5 Q9UQL6 2/20 0.31

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
SCHEMBL4984249 0.79 TDP1 (0.33)
SCHEMBL9467787 0.76 REN (0.42) RENHDAC3HDAC4HDAC1HDAC7
SCHEMBL14569206 0.67 ALDH1A1 (0.40)
Diethanolamine SCHEMBL1696414 0.67 REN (0.36) RENHDAC3HDAC4HDAC1HDAC7
SCHEMBL17841809 0.67
SCHEMBL262188 0.66
SCHEMBL8928181 0.65 REN (0.41) REN
SCHEMBL4195866 0.65 ALDH1A1 (0.32) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL5809103 0.65 REN (0.38) REN
SCHEMBL10652719 0.65 CA12 (0.43) RENHDAC1HDAC6

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
US-10874753-B2 Radiopharmaceutical conjugate of a metabolite and an EPR agent, for targeting tumour cells THE SOUTH AFRICAN NUCLEAR ENERGY CORPORATION LIMITED (ZA) 2020-12-29 US claimed
US-20170296684-A1 RADIOPHARMACEUTICAL CONJUGATE UNIVERSITY OF CAPE TOWN (ZA) 2017-10-19 US claimed
EP-3197504-A2 RADIOPHARMACEUTICAL CONJUGATE OF A METABOLITE AND AN EPR AGENT, FOR TARGETING TUMOUR CELLS The South African Nuclear Energy Corporation Limited (ZA) 2017-08-02 EP claimed
WO-2016046793-A2 RADIOPHARMACEUTICAL CONJUGATE THE SOUTH AFRICAN NUCLEAR ENERGY CORPORATION LIMITED (ZA) 2016-03-31 WO claimed
EP-4556029-A2 RADIOPHARMACEUTICAL CONJUGATE The South African Nuclear Energy Corporation Limited (ZA) 2025-05-21 EP 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-10874753-B2 Radiopharmaceutical conjugate of a metabolite and an EPR agent, for targeting tumour cells EPRS1, FOLH1, SLC46A1 REN 2276/4885ESR1 118/4885HDAC3 2980/4885
US-20170296684-A1 RADIOPHARMACEUTICAL CONJUGATE FOLH1, EPRS1, FOLR1 REN 2873/4885ESR1 230/4885HDAC3 2589/4885

“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.