SCHEMBL1989752

SCHEMBL1989752

CCOC(=O)Cc1nn([C@H]2CC[C@@H](NC(=O)OC(C)(C)C)CC2)c2ccccc12

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.43
JAK1 P23458 3/20 0.43
JAK2 O60674 2/20 0.43
RECQL P46063 1/20 0.42
USP14 P54578 1/20 0.42
KMT2A Q03164 1/20 0.41
DRD2 P14416 2/20 0.41
RET P07949 2/20 0.41
KDR P35968 1/20 0.41
KDM1A O60341 1/20 0.40
MAOB P27338 1/20 0.40
CKS1B P61024 1/20 0.40
SKP1 P63208 1/20 0.40
SKP2 Q13309 1/20 0.40
ALDH1A1 P00352 1/20 0.40
PTGDR2 Q9Y5Y4 3/20 0.39
KDM4E B2RXH2 1/20 0.38

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
SCHEMBL1989753 1.00 L3MBTL1 (0.44) L3MBTL1SMN1; SMN2JAK1JAK2RECQL
SCHEMBL2002226 0.83 L3MBTL1 (0.50) L3MBTL1SMN1; SMN2RECQLKMT2AALDH1A1
Hydrochloric Acid SCHEMBL1990766 0.80 RECQL (0.51) L3MBTL1SMN1; SMN2RECQLALDH1A1PTGDR2
Hydrochloric Acid SCHEMBL1990769 0.80 RECQL (0.51) L3MBTL1SMN1; SMN2RECQLALDH1A1PTGDR2
SCHEMBL1992150 0.79 SMN1; SMN2 (0.48) L3MBTL1SMN1; SMN2RECQLALDH1A1PTGDR2
SCHEMBL1992151 0.79 SMN1; SMN2 (0.48) L3MBTL1SMN1; SMN2RECQLALDH1A1PTGDR2
SCHEMBL1992571 0.77 SMN1; SMN2 (0.48) L3MBTL1SMN1; SMN2RECQLALDH1A1PTGDR2
SCHEMBL28542915 0.71 JAK1 (0.47) L3MBTL1JAK1JAK2KMT2ADRD2
SCHEMBL28542917 0.71 JAK1 (0.47) L3MBTL1JAK1JAK2KMT2ADRD2
SCHEMBL1990506 0.71 CHRM2 (0.47) SMN1; SMN2KDM4E

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-20110152243-A1 NOVEL THIENOPYRROLE COMPOUNDS ABBOTT LABORATORIES (US) 2011-06-23 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-20110152243-A1 NOVEL THIENOPYRROLE COMPOUNDS TPMT, TSLP, THPO L3MBTL1 3898/4885SMN1; SMN2 2548/4885JAK1 234/4885

“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.