SCHEMBL14946315

SCHEMBL14946315

COC(=O)NC(CCCCN=[N+]=[N-])C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ FOLH1 Q04609 10/20 0.41
▸ TGM2 P21980 1/20 0.36
▸ ALB P02768 3/20 0.35
▸ NOD1 Q9Y239 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ TGFBR1 P36897 1/20 0.33
▸ SIRT2 Q8IXJ6 1/20 0.32
▸ SIRT1 Q96EB6 1/20 0.32

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
SCHEMBL14439650 0.86 ALDH1A1 (0.46) ALDH1A1TSHR
SCHEMBL15888952 0.86 ALDH1A1 (0.46) ALDH1A1TSHR
SCHEMBL26355806 0.85 ALDH1A1 (0.45) FOLH1ALDH1A1TSHR
SCHEMBL15083489 0.81 CTSK (0.46) ALDH1A1TSHR
SCHEMBL16288146 0.81 CTSK (0.46) ALDH1A1TSHR
SCHEMBL13448062 0.81 FOLH1 (0.39) FOLH1ALBNOD1TSHR
SCHEMBL16446180 0.81 FOLH1 (0.39) FOLH1ALBNOD1TSHR
SCHEMBL24630046 0.80 NOD1 (0.48) FOLH1ALBNOD1
SCHEMBL29072118 0.80 NOD1 (0.48) FOLH1ALBNOD1
SCHEMBL29072117 0.80 NOD1 (0.48) FOLH1ALBNOD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8946405-B2 Controlled release from solid supports PROLYNX LLC (US) 2015-02-03 — — US disclosed
US-8946405-B2 Controlled release from solid supports PROLYNX LLC (US) 2015-02-03 — — US disclosed
US-8703907-B2 Controlled drug release from dendrimers PROLYNX LLC (US) 2014-04-22 — — US disclosed
US-8703907-B2 Controlled drug release from dendrimers PROLYNX LLC (US) 2014-04-22 — — US disclosed
US-20130123487-A1 CONTROLLED RELEASE FROM SOLID SUPPORTS PROLYNX LLC (US) 2013-05-16 — — US disclosed
US-20130123461-A1 CONTROLLED DRUG RELEASE FROM DENDRIMERS PROLYNX LLC (US) 2013-05-16 — — US disclosed
US-20130123487-A1 CONTROLLED RELEASE FROM SOLID SUPPORTS PROLYNX LLC (US) 2013-05-16 — — US disclosed
US-20130123461-A1 CONTROLLED DRUG RELEASE FROM DENDRIMERS PROLYNX LLC (US) 2013-05-16 — — US disclosed
WO-2011140376-A1 CONTROLLED DRUG RELEASE FROM DENDRIMERS PROLYNX LLC (US) 2011-11-10 — — WO 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-20130123487-A1 CONTROLLED RELEASE FROM SOLID SUPPORTS SLC43A1, ABCB1, NAPA FOLH1 196/4885TGM2 2262/4885ALB 1012/4885
US-20130123461-A1 CONTROLLED DRUG RELEASE FROM DENDRIMERS SLC43A1, SLC47A1, SLC47A2 FOLH1 47/4885TGM2 1483/4885ALB 1158/4885

“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.

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