SCHEMBL724990

SCHEMBL724990

NCC#Cc1c(OCCCS(=O)(=O)O)c(C#CCN)c(OCCCS(=O)(=O)O)c(C(=O)NCCCCCC(=O)O)c1OCCCS(=O)(=O)O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.40
POLB P06746 3/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
ALDH1A1 P00352 2/20 0.38
CA1 P00915 3/20 0.37
CA2 P00918 3/20 0.37
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
CA12 O43570 1/20 0.34
CA3 P07451 1/20 0.34
CA4 P22748 1/20 0.34
CA6 P23280 1/20 0.34
CA5A P35218 1/20 0.34
CA7 P43166 1/20 0.34
CA9 Q16790 1/20 0.34
CA13 Q8N1Q1 1/20 0.34
CA14 Q9ULX7 1/20 0.34
CA5B Q9Y2D0 1/20 0.34
LMNA P02545 1/20 0.34

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
SCHEMBL10055326 0.95 ALDH1A1 (0.41) MAPK1POLBSMN1; SMN2ALDH1A1CA1
SCHEMBL10077809 0.84 CA1 (0.41) MAPK1POLBSMN1; SMN2ALDH1A1CA1
SCHEMBL10080126 0.82 PLAU (0.32)
SCHEMBL10055204 0.77 METAP2 (0.31) SMN1; SMN2ALDH1A1CA1CA2CA12
SCHEMBL10080127 0.77 PLAU (0.33)
SCHEMBL726171 0.67 PTPN11 (0.42) CA1CA2CYP2C19CA12CA9
SCHEMBL18880195 0.64 MEN1 (0.46) MAPK1POLBSMN1; SMN2
SCHEMBL10604597 0.63 PRMT1 (0.55) MAPK1LMNAKDM4EEPHX2PRMT1
SCHEMBL11067650 0.63 PRMT1 (0.55) MAPK1ALDH1A1LMNAKDM4EEPHX2
SCHEMBL9473225 0.63 PRMT1 (0.55) MAPK1LMNAKDM4EEPHX2PRMT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9702001-B2 Scaffold-based polymerase enzyme substrates PACIFIC BIOSCIENCES OF CALIFORNIA, INC. (US) 2017-07-11 US disclosed
US-9702001-B2 Scaffold-based polymerase enzyme substrates PACIFIC BIOSCIENCES OF CALIFORNIA, INC. (US) 2017-07-11 US disclosed
US-20150307933-A1 SCAFFOLD-BASED POLYMERASE ENZYME SUBSTRATES PACIFIC BIOSCIENCES CALIFORNIA (US) 2015-10-29 US disclosed
US-20150307933-A1 SCAFFOLD-BASED POLYMERASE ENZYME SUBSTRATES PACIFIC BIOSCIENCES CALIFORNIA (US) 2015-10-29 US disclosed
US-8906612-B2 Scaffold-based polymerase enzyme substrates PACIFIC BIOSCIENCES OF CALIFORNIA, INC. (US) 2014-12-09 US disclosed
US-8906612-B2 Scaffold-based polymerase enzyme substrates PACIFIC BIOSCIENCES OF CALIFORNIA, INC. (US) 2014-12-09 US disclosed
WO-2012027625-A9 SCAFFOLD-BASED POLYMERASE ENZYME SUBSTRATES PACIFIC BIOSCIENCES OF CALIFORNIA, INC. (US) 2012-08-02 WO disclosed
US-20120077189-A1 SCAFFOLD-BASED POLYMERASE ENZYME SUBSTRATES PACIFIC BIOSCIENCES OF CALIFORNIA, INC. (US) 2012-03-29 US disclosed
US-20120077189-A1 SCAFFOLD-BASED POLYMERASE ENZYME SUBSTRATES PACIFIC BIOSCIENCES OF CALIFORNIA, INC. (US) 2012-03-29 US disclosed
WO-2012027625-A2 SCAFFOLD-BASED POLYMERASE ENZYME SUBSTRATES PACIFIC BIOSCIENCES OF CALIFORNIA, INC. (US) 2012-03-01 WO disclosed
WO-2012027625-A2 SCAFFOLD-BASED POLYMERASE ENZYME SUBSTRATES PACIFIC BIOSCIENCES OF CALIFORNIA, INC. (US) 2012-03-01 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-20120077189-A1 SCAFFOLD-BASED POLYMERASE ENZYME SUBSTRATES POLM, RNGTT, POLR1G MAPK1 3063/4885POLB 12/4885SMN1; SMN2 2719/4885

“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.