SCHEMBL4539607

SCHEMBL4539607

O=C(O)N1CCC(S(=O)(=O)c2cccc(Br)c2)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SPR P35270 1/20 0.46
L3MBTL3 Q96JM7 4/20 0.44
MBTD1 Q05BQ5 2/20 0.44
HTR2A P28223 4/20 0.43
L3MBTL1 Q9Y468 2/20 0.41
AKR1C3 P42330 2/20 0.41
L3MBTL4 Q8NA19 1/20 0.41
ALDH1A1 P00352 1/20 0.41
TP53 P04637 1/20 0.41
HTR2C P28335 3/20 0.41
KCNH2 Q12809 3/20 0.41
ATM Q13315 1/20 0.41
CTSL P07711 2/20 0.41
CTSK P43235 2/20 0.41
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA7 P43166 1/20 0.40
CA9 Q16790 1/20 0.40
CA14 Q9ULX7 1/20 0.40

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
SCHEMBL27917812 0.84 HTR2A (0.58) SPRHTR2AAKR1C3ALDH1A1HTR2C
SCHEMBL23799261 0.83 SPR (0.46) SPRHTR2AAKR1C3ALDH1A1HTR2C
SCHEMBL2634144 0.82 SPR (0.44) SPRL3MBTL3HTR2AL3MBTL1HTR2C
SCHEMBL3846739 0.82 MBTD1 (0.48) L3MBTL3MBTD1HTR2AL3MBTL1AKR1C3
SCHEMBL29711772 0.82 MBTD1 (0.48) L3MBTL3MBTD1HTR2AL3MBTL1AKR1C3
SCHEMBL265483 0.81 SMN1; SMN2 (0.55) HTR2AHTR2CKCNH2MMP2
SCHEMBL17907549 0.80 CTSL (0.61) ALDH1A1ATMCTSLCTSKCTSB
SCHEMBL1498303 0.80 CNR1 (0.51) CA1CA2MMP2CTSS
SCHEMBL12334568 0.79 MBTD1 (0.49) L3MBTL3MBTD1HTR2AL3MBTL1AKR1C3
SCHEMBL19510910 0.79 MBTD1 (0.49) L3MBTL3MBTD1HTR2AL3MBTL1AKR1C3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090286789-A1 Bi-Aryl Meta-Pyrimidine Inhibitors of Kinases TARGEGEN, INC. (US) 2009-11-19 US 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-20090286789-A1 Bi-Aryl Meta-Pyrimidine Inhibitors of Kinases JAK2, TYK2, LTK SPR 1295/4885L3MBTL3 3149/4885MBTD1 1543/4885

“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.