SCHEMBL1889166

SCHEMBL1889166

CCNCC1COc2c(F)cc(S(C)(=O)=O)cc2O1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CA2 P00918 11/20 0.46
HTR6 P50406 1/20 0.38
POLB P06746 1/20 0.36
ESR2 Q92731 1/20 0.36
LMNA P02545 4/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
ALDH1A1 P00352 4/20 0.34
CA1 P00915 2/20 0.33
MAPT P10636 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
CA4 P22748 1/20 0.33
CA5A P35218 1/20 0.33
CA9 Q16790 1/20 0.33
CA5B Q9Y2D0 1/20 0.33
HPGD P15428 1/20 0.33

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
SCHEMBL1080215 1.00 CA2 (0.46) CA2HTR6POLBESR2LMNA
SCHEMBL1082876 0.91 POLB (0.48) CA2HTR6POLBESR2LMNA
SCHEMBL1879405 0.91 POLB (0.48) CA2HTR6POLBESR2LMNA
SCHEMBL1082579 0.89 CA2 (0.42) CA2HTR6POLBESR2MEN1
SCHEMBL1882531 0.88 HTR6 (0.50) CA2HTR6LMNAMEN1KMT2A
SCHEMBL1884064 0.88 HTR6 (0.50) CA2HTR6LMNAMEN1KMT2A
SCHEMBL1887847 0.87 CA2 (0.43) CA2HTR6LMNAMEN1KMT2A
SCHEMBL1019050 0.87 CA2 (0.43) CA2HTR6POLBESR2LMNA
SCHEMBL1082205 0.86 CA2 (0.42) CA2HTR6POLBESR2LMNA
SCHEMBL1882286 0.86 CA2 (0.42) CA2HTR6POLBESR2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2271634-B1 MODULATORS OF DOPAMINE NEUROTRANSMISSION INTEGRATIVE RES LAB SWEDEN AB (SE) 2014-02-12 EP claimed
US-8524766-B2 Modulators of dopamine neurotransmission NSAB, FILIAL AF NEUROSEARCH SWEDEN AB, SVERIGE (DK) 2013-09-03 US claimed
US-20110105461-A1 MODULATORS OF DOPAMINE NEUROTRANSMISSION NSAB, FILIAL AF NEUROSEARCH SWEDEN AB, SVERIGE (DK) 2011-05-05 US claimed
EP-2271634-B1 MODULATORS OF DOPAMINE NEUROTRANSMISSION INTEGRATIVE RES LAB SWEDEN AB (SE) 2014-02-12 EP disclosed
US-8524766-B2 Modulators of dopamine neurotransmission NSAB, FILIAL AF NEUROSEARCH SWEDEN AB, SVERIGE (DK) 2013-09-03 US disclosed
US-20110105461-A1 MODULATORS OF DOPAMINE NEUROTRANSMISSION NSAB, FILIAL AF NEUROSEARCH SWEDEN AB, SVERIGE (DK) 2011-05-05 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-20110105461-A1 MODULATORS OF DOPAMINE NEUROTRANSMISSION DBH, SLC18A2, SLC6A3 CA2 3728/4885HTR6 111/4885POLB 4159/4885

“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.