SCHEMBL135496

SCHEMBL135496

Cc1ccc(S(=O)(=O)ON2CCO[C@@H](c3ccc(-c4noc(C)n4)cc3)C2)cc1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 2/20 0.50
DRD2 P14416 1/20 0.50
KCNH2 Q12809 1/20 0.50
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA9 Q16790 1/20 0.44
HTT P42858 3/20 0.41
LMNA P02545 2/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
CHRNA7 P36544 1/20 0.39
GRM5 P41594 2/20 0.38
MAPT P10636 3/20 0.37
TSHR P16473 2/20 0.36
POLB P06746 1/20 0.36
GAA P10253 1/20 0.36
P2RX3 P56373 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36

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
SCHEMBL135495 0.74 CA12 (0.45) DRD3DRD2KCNH2CA12CA1
SCHEMBL966656 0.73 DRD3 (0.49) DRD3DRD2KCNH2CA12CA1
SCHEMBL2291907 0.71 CYP2D6 (0.47) DRD3DRD2CA12CA2LMNA
SCHEMBL2298207 0.71 CYP2D6 (0.47) DRD3DRD2CA12CA2LMNA
SCHEMBL967405 0.71 GPR119 (0.58) DRD3DRD2KCNH2
SCHEMBL102402 0.70 DRD3 (0.49) DRD3DRD2KCNH2CA12CA1
SCHEMBL102151 0.69 RAB9A (0.45) DRD3DRD2KCNH2HTTLMNA
SCHEMBL101657 0.68 DRD3 (0.47) DRD3DRD2KCNH2HTTLMNA
SCHEMBL135512 0.68 DRD3 (0.47) DRD3DRD2KCNH2HTTLMNA
SCHEMBL27981543 0.68 PKM (0.51) HTTTSHRPOLBGAA

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-20120059165-A1 INTERMEDIATE COMPOUND FOR SYNTHESIZING PHARMACEUTICAL AGENT AND PRODUCTION METHOD THEREOF SANOFI (FR) 2012-03-08 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-20120059165-A1 INTERMEDIATE COMPOUND FOR SYNTHESIZING PHARMACEUTICAL AGENT AND PRODUCTION METHOD THEREOF HRH4, HNMT, CYP3A4 DRD3 437/4885DRD2 183/4885KCNH2 1234/4885

“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.