SCHEMBL1837664

SCHEMBL1837664

O=C(CCl)NC1CN(C(=O)O)CC1O

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.33
JAK2 O60674 1/20 0.33
MITF O75030 1/20 0.33
MTNR1A P48039 1/20 0.33
MTNR1B P49286 1/20 0.33
PYGB P11216 1/20 0.32
CTSK P43235 1/20 0.31
TRPV1 Q8NER1 4/20 0.30
CNR1 P21554 2/20 0.30
CNR2 P34972 2/20 0.30

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
SCHEMBL6022110 0.85 ALDH1A1 (0.34) SMN1; SMN2JAK2MITFMTNR1AMTNR1B
SCHEMBL21381973 0.85 ALDH1A1 (0.34) SMN1; SMN2JAK2MITFMTNR1AMTNR1B
SCHEMBL23150450 0.85 ALDH1A1 (0.34) SMN1; SMN2JAK2MITFMTNR1AMTNR1B
SCHEMBL23150451 0.85 ALDH1A1 (0.34) SMN1; SMN2JAK2MITFMTNR1AMTNR1B
SCHEMBL31332321 0.81 USP30 (0.34) SMN1; SMN2JAK2MITFMTNR1AMTNR1B
SCHEMBL20137461 0.79 CTSK (0.38) SMN1; SMN2CTSKTRPV1CNR1CNR2
SCHEMBL3612617 0.77 SMN1; SMN2 (0.36) SMN1; SMN2CTSK
SCHEMBL1841363 0.76 USP2 (0.40) SMN1; SMN2CTSKTRPV1CNR1CNR2
SCHEMBL23210140 0.75 MTNR1A (0.31) MTNR1AMTNR1B
SCHEMBL23152267 0.75 MTNR1A (0.31) MTNR1AMTNR1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110201599-A1 CDK Modulators EXELIXIS, INC. (US) 2011-08-18 US disclosed
CN-102143746-A CDK modulators EXELIXIS INC 2011-08-03 CN disclosed
EP-2320895-A2 CDK MODULATORS Exelixis, Inc. (US) 2011-05-18 EP disclosed
WO-2010003133-A2 CDK MODULATORS EXELIXIS INC. (US) 2010-01-07 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-20110201599-A1 CDK Modulators CDK3, CDK1, CDKL1 SMN1; SMN2 1814/4885JAK2 125/4885MITF 1538/4885

“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.