SCHEMBL3582032

SCHEMBL3582032

CS(=O)(=O)N=C1NC[C@H](c2cccc(OCCO)c2)N1c1ccc(Cl)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 3/20 0.36
CA1 P00915 3/20 0.36
CA2 P00918 3/20 0.36
CA9 Q16790 3/20 0.36
SLC5A1 P13866 1/20 0.33
DRD2 P14416 1/20 0.33
DRD4 P21917 1/20 0.33
DRD3 P35462 1/20 0.33
CYP2D6 P10635 1/20 0.32
KMT2A Q03164 1/20 0.32
PPARG P37231 3/20 0.32
PPARA Q07869 1/20 0.32
MAPT P10636 1/20 0.32
MAPK1 P28482 1/20 0.32
PTGS2 P35354 1/20 0.31
QPCT Q16769 3/20 0.31
HTR1A P08908 1/20 0.31
HTR7 P34969 1/20 0.31
QPCTL Q9NXS2 1/20 0.31
SLC6A2 P23975 2/20 0.31

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
SCHEMBL3582035 1.00 CA12 (0.36) CA12CA1CA2CA9SLC5A1
SCHEMBL4435438 1.00 CA12 (0.36) CA12CA1CA2CA9SLC5A1
SCHEMBL3582030 1.00 CA12 (0.36) CA12CA1CA2CA9SLC5A1
SCHEMBL3593208 0.81 ALDH1A1 (0.37) CA12CA1CA2CA9MAPT
SCHEMBL3593214 0.81 ALDH1A1 (0.37) CA12CA1CA2CA9MAPT
SCHEMBL3593210 0.81 ALDH1A1 (0.37) CA12CA1CA2CA9MAPT
SCHEMBL3588660 0.80 QPCT (0.41) SLC5A1PPARGPPARAQPCTQPCTL
SCHEMBL3588664 0.80 QPCT (0.41) SLC5A1PPARGPPARAQPCTQPCTL
SCHEMBL4435442 0.80 DRD2 (0.35) CA12CA1CA2CA9DRD2
SCHEMBL3589430 0.80 P2RX3 (0.33) CA12CA1CA2CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130210769-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY IRM LLC (BM) 2013-08-15 US claimed
US-20100234365-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY IRM LLC (BM) 2010-09-16 US claimed
US-20130210769-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY IRM LLC (BM) 2013-08-15 US disclosed
US-8431607-B2 Compounds and compositions as inhibitors of cannabinoid receptor 1 activity IRM LLC, A DELAWARE LIMITED LIABILITY COMPANY (BM) 2013-04-30 US disclosed
US-20100234365-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY IRM LLC (BM) 2010-09-16 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 (2 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-20130210769-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY CNR1, CNR2, FAAH CA12 3504/4885CA1 2110/4885CA2 1808/4885
US-20100234365-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY CNR1, CNR2, FAAH CA12 3504/4885CA1 2110/4885CA2 1808/4885

“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.