SCHEMBL3354986

SCHEMBL3354986

COC(=O)[C@H](CCP(=O)(O)O)NC(=O)OCc1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KYNU Q16719 1/20 0.63
ALDH1A1 P00352 1/20 0.55
ALOX15 P16050 1/20 0.55
SIRT2 Q8IXJ6 1/20 0.53
SIRT1 Q96EB6 1/20 0.53
SIRT3 Q9NTG7 1/20 0.53
CTSK P43235 5/20 0.51
TACR1 P25103 1/20 0.51
CTSL P07711 2/20 0.50
CTSS P25774 2/20 0.50
ELANE P08246 1/20 0.50
CTSB P07858 1/20 0.50
TRPM8 Q7Z2W7 1/20 0.49
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
PRTN3 P24158 1/20 0.48

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
SCHEMBL21174049 0.92 TACR1 (0.53) KYNUALDH1A1ALOX15CTSKTACR1
SCHEMBL21174062 0.92 TACR1 (0.53) KYNUALDH1A1ALOX15CTSKTACR1
SCHEMBL56432 0.92 TACR1 (0.53) KYNUALDH1A1ALOX15CTSKTACR1
SCHEMBL21174139 0.90 ECE1 (0.54) KYNUSIRT2SIRT1CTSKTACR1
SCHEMBL57729 0.90 ECE1 (0.54) KYNUSIRT2SIRT1CTSKTACR1
SCHEMBL21174225 0.90 ECE1 (0.54) KYNUSIRT2SIRT1CTSKTACR1
SCHEMBL8123840 0.89 KYNU (0.59) KYNUALDH1A1ALOX15SIRT2SIRT1
SCHEMBL56605 0.88 ECE1 (0.53) KYNUSIRT2SIRT1CTSKTACR1
SCHEMBL13305975 0.88 KYNU (0.58) KYNUALDH1A1ALOX15SIRT2SIRT1
SCHEMBL56606 0.86 TACR1 (0.50) KYNUCTSKTACR1CTSLCTSS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100137258-A1 THIOPHOSPHI(O)NIC ACID DERIVATIVES AND THEIR THERAPEUTICAL APPLICATIONS CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2010-06-03 US disclosed
US-20100137258-A1 THIOPHOSPHI(O)NIC ACID DERIVATIVES AND THEIR THERAPEUTICAL APPLICATIONS CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2010-06-03 US disclosed
US-20100137258-A1 THIOPHOSPHI(O)NIC ACID DERIVATIVES AND THEIR THERAPEUTICAL APPLICATIONS CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2010-06-03 US disclosed
WO-2009016520-A2 THIOPHOSPHI(O)NIC ACID DERIVATIVES AND THEIR USE AS AGONISTS OR ANTAGONISTS FOR METABOTROPIC GLUTAMATE RECEPTORS CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2009-02-05 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 (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-20100137258-A1 THIOPHOSPHI(O)NIC ACID DERIVATIVES AND THEIR THERAPEUTICAL APPLICATIONS C1R, TLR9, CBR1 KYNU 1937/4885ALDH1A1 2913/4885ALOX15 1268/4885

“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.