SCHEMBL3058157

SCHEMBL3058157

Cc1ccc(S(=O)(=O)Oc2nn(Cc3ccccc3)c3ccccc23)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CNR1 P21554 4/20 0.54
▸ CNR2 P34972 4/20 0.54
▸ ACHE P22303 3/20 0.54
▸ KDM4E B2RXH2 1/20 0.50
▸ GUCY1B2 O75343 1/20 0.50
▸ CYP1A2 P05177 1/20 0.50
▸ CHRM2 P08172 1/20 0.50
▸ HTR1A P08908 1/20 0.50
▸ ADRA2A P08913 1/20 0.50
▸ CYP2D6 P10635 1/20 0.50
▸ CHRM1 P11229 1/20 0.50
▸ DRD1 P21728 1/20 0.50
▸ SLC6A2 P23975 1/20 0.50
▸ SLC6A4 P31645 1/20 0.50
▸ GUCY1A2 P33402 1/20 0.50
▸ ADRA1A P35348 1/20 0.50
▸ OPRM1 P35372 1/20 0.50
▸ DRD3 P35462 1/20 0.50
▸ SLC6A3 Q01959 1/20 0.50
▸ GUCY1A1 Q02108 1/20 0.50

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
SCHEMBL27821228 0.77 CNR2 (0.64) CNR1CNR2ACHEKDM4EGUCY1B2
SCHEMBL13991168 0.76 PTGS2 (0.42) KEAP1NFE2L2PTGS2TP53MAPT
SCHEMBL2760339 0.75 CNR2 (0.70) CNR1CNR2ACHEKDM4EGUCY1B2
SCHEMBL12092607 0.72 CNR2 (0.76) CNR1CNR2ACHEKDM4EGUCY1B2
SCHEMBL10829748 0.72 CNR1 (0.62) CNR1CNR2ACHEKDM4EGUCY1B2
SCHEMBL13618343 0.71 F2RL3 (0.66) CNR1CNR2ACHEKDM4ECYP1A2
SCHEMBL27520009 0.71 CNR1 (0.65) CNR1CNR2ACHEKDM4EGUCY1B2
SCHEMBL2739310 0.71 CNR2 (0.65) CNR1CNR2ACHEKDM4EGUCY1B2
SCHEMBL13924082 0.71 ALDH1A1 (0.40) PTGS2TP53MAPTSMN1; SMN2
SCHEMBL17508607 0.71 CNR1 (0.48) CNR1CNR2ACHEKDM4EGUCY1B2

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
EP-2173716-B1 A PROCESS FOR THE PALLADIUM-CATALYZED COUPLING OF TERMINAL ALKYNES WITH HETEROARYL TOSYLATES AND HETEROARYL BENZENESULFONATES SANOFI SA (FR) 2014-03-19 — — EP disclosed
US-8420812-B2 Process for the palladium-catalyzed coupling of terminal alkynes with heteroaryl tosylates and heteroaryl benzenesulfonates SANOFI (FR) 2013-04-16 — — US disclosed
US-20100261900-A1 Process for the palladium-catalyzed coupling of terminal alkynes with heteroaryl tosylates and heteroaryl benzenesulfonates SANOFI-AVENTIS (FR) 2010-10-14 — — US disclosed
EP-2173716-A1 A PROCESS FOR THE PALLADIUM-CATALYZED COUPLING OF TERMINAL ALKYNES WITH HETEROARYL TOSYLATES AND HETEROARYL BENZENESULFONATES Sanofi-Aventis (FR) 2010-04-14 — — EP disclosed
WO-2009003590-A1 A PROCESS FOR THE PALLADIUM-CATALYZED COUPLING OF TERMINAL ALKYNES WITH HETEROARYL TOSYLATES AND HETEROARYL BENZENESULFONATES SANOFI-AVENTIS (FR) 2009-01-08 — — 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-20100261900-A1 Process for the palladium-catalyzed coupling of terminal alkynes with heteroaryl tosylates and heteroaryl benzenesulfonates DDT, TYR, DDC CNR1 1297/4885CNR2 1323/4885ACHE 3018/4885

“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.

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