SCHEMBL16623498

SCHEMBL16623498

N=C(c1csc(C(=O)NCCO)c1)c1c(NC2CCCC2)cc[nH]c1=O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.36
CA1 P00915 2/20 0.36
CA2 P00918 2/20 0.36
CA3 P07451 2/20 0.36
CA6 P23280 2/20 0.36
CA5A P35218 2/20 0.36
CA7 P43166 2/20 0.36
CA9 Q16790 2/20 0.36
CA13 Q8N1Q1 2/20 0.36
CA5B Q9Y2D0 2/20 0.36
HDAC4 P56524 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
MMP12 P39900 1/20 0.33
ALOX15 P16050 1/20 0.32
CA14 Q9ULX7 1/20 0.32
BRD4 O60885 1/20 0.32
TSHR P16473 1/20 0.32
HTT P42858 1/20 0.32
ALDH1A1 P00352 2/20 0.31
CYP1A2 P05177 1/20 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
SCHEMBL17849241 0.87 JAK1 (0.38) HDAC4HDAC6ALOX15BRD4TSHR
SCHEMBL16623456 0.86 HCAR3 (0.36) BRD4HDAC8JAK2JAK1
SCHEMBL16623551 0.85 JAK1 (0.34) CA1CA2CA3CA6CA7
SCHEMBL16623491 0.84 JAK1 (0.34) CA1CA2CA3CA6CA7
SCHEMBL18052627 0.82 FYN (0.35) ALOX15BRD4ALDH1A1HDAC8JAK2
SCHEMBL16623472 0.79 JAK1 (0.33) JAK2JAK1
SCHEMBL16623536 0.78 HSP90AA1 (0.35) JAK2JAK1
SCHEMBL16623474 0.78 HSP90AA1 (0.35) JAK2JAK1
SCHEMBL17849195 0.78 HSP90AA1 (0.35) JAK2JAK1
SCHEMBL16623510 0.77 JAK1 (0.42) JAK2JAK1

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-9371320-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-06-21 US disclosed
US-9371320-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-06-21 US disclosed
US-20150141406-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-05-21 US disclosed
US-20150141406-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-05-21 US disclosed
EP-2857400-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2015-04-08 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 (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-20150141406-A1 HETEROCYCLIC COMPOUND JAK2, JAK1, STAT3 CA12 2039/4885CA1 2704/4885CA2 1618/4885

“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.