SCHEMBL2465997

SCHEMBL2465997

CS(=O)(=O)N1CCC(c2c(C(N)=O)ccc(C(N)=O)c2N)CC1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.43
JAK2 O60674 1/20 0.42
JAK3 P52333 1/20 0.42
MAPT P10636 1/20 0.40
ALDH1A1 P00352 1/20 0.39
CYP2C19 P33261 1/20 0.39
MEN1 O00255 4/20 0.39
KMT2A Q03164 4/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
PARP1 P09874 1/20 0.38
TP53 P04637 1/20 0.38
NPSR1 Q6W5P4 2/20 0.38
TSHR P16473 2/20 0.37
POLB P06746 2/20 0.37
HTT P42858 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
GAA P10253 1/20 0.37

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
SCHEMBL17786108 0.84 PARP1 (0.44) SYKJAK2JAK3MAPTALDH1A1
SCHEMBL17786110 0.81 PARP1 (0.44) SYKJAK2JAK3MAPTMEN1
SCHEMBL26606681 0.75 HTT (0.39) MAPTALDH1A1CYP2C19MEN1KMT2A
SCHEMBL10449035 0.73 MAPT (0.38) MAPTALDH1A1MEN1KMT2APARP1
SCHEMBL17786111 0.70 PARP1 (0.38) PARP1
SCHEMBL813186 0.69 MEN1 (0.46) MAPTALDH1A1MEN1KMT2APARP1
SCHEMBL28063763 0.69 ESR2 (0.41) ALDH1A1PARP1SMN1; SMN2GAA
SCHEMBL14321122 0.68 SLC18A3 (0.46) SYKMAPTALDH1A1CYP2C19MEN1
SCHEMBL812386 0.68 KMT2A (0.49) MAPTALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL9396685 0.68 KDM4E (0.40) MAPTMEN1KMT2APARP1TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8012956-B2 Tropane compounds EXELIXIS, INC. (US) 2011-09-06 US claimed
US-20090163471-A1 Tropane compounds EXELIXIS, INC. 2009-06-25 US claimed

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-20090163471-A1 Tropane compounds ADRA1B, ADRA2B, ADRB2 SYK 4519/4885JAK2 3332/4885JAK3 4162/4885

“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.